SCHEMBL16705643

SCHEMBL16705643

CCCCC(C)N(N)c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATP4A P20648 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16705681 0.85 NPC1 (0.47) NPC1RAB9AALDH1A1LOXL2GAA
SCHEMBL18359701 0.81 RAB9A (0.44) NPC1RAB9AALDH1A1LOXL2GAA
SCHEMBL20043130 0.79 LOXL2 (0.49) NPC1RAB9AALDH1A1LOXL2GAA
SCHEMBL10810872 0.78 LOXL2 (0.43) NPC1RAB9AALDH1A1LOXL2GAA
SCHEMBL15722636 0.77 NPC1 (0.52) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL18369556 0.76 NPC1 (0.51) NPC1RAB9AALDH1A1LOXL2GAA
SCHEMBL23185863 0.75 NPC1 (0.50) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL16705693 0.75 NPC1 (0.50) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL15722747 0.75 NPC1 (0.50) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL15722637 0.75 NPC1 (0.50) NPC1RAB9AALDH1A1GAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 US disclosed
US-11203716-B2 Compound, polymerizable compound, mixture, polymerizable liquid crystal composition, polymer, optical film, optically anisotropic product, polarizing plate, flat panel display device, organic electroluminescence display device, and anti-reflection film ZEON CORPORATION (JP) 2021-12-21 US disclosed
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2021-08-17 US disclosed
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative DIC CORPORATION (JP) 2021-04-06 US disclosed
EP-3246306-B1 COMPOUND, POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM ZEON CORP (JP) 2020-09-02 EP disclosed
US-20200115482-A1 MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND PRODUCTION METHOD FOR MIXTURE ZEON CORPORATION (JP) 2020-04-16 US disclosed
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-02-13 US disclosed
US-20190264107-A1 COMPOUND, POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM ZEON CORPORATION (JP) 2019-08-29 US disclosed
US-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2019-01-08 US disclosed
WO-2018123622-A1 MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZING SHEET, DISPLAY DEVICE, ANTIREFLECTIVE FILM, AND MANUFACTURING METHOD FOR MIXTURE 日本ゼオン株式会社 2018-07-05 WO disclosed
US-9643942-B2 Method for manufacturing 1,1-disubstituted hydrazine compound ZEON CORPORATION (JP) 2017-05-09 US disclosed
US-9586917-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2017-03-07 US disclosed
US-9586917-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2017-03-07 US disclosed
US-20170008862-A1 METHOD FOR MANUFACTURING 1,1-DISUBSTITUTED HYDRAZINE COMPOUND ZEON CORPORATION (JP) 2017-01-12 US disclosed
US-20170008862-A1 METHOD FOR MANUFACTURING 1,1-DISUBSTITUTED HYDRAZINE COMPOUND ZEON CORPORATION (JP) 2017-01-12 US disclosed
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2016-09-29 US disclosed
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2016-09-29 US disclosed
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2015-06-25 US disclosed
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2015-06-25 US disclosed
EP-2871192-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND Zeon Corporation (JP) 2015-05-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PYM1, C5, C1S NPC1 3672/4885RAB9A 3942/4885ALDH1A1 987/4885
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PDE8A, MAPT, PLK4 NPC1 3200/4885RAB9A 3436/4885ALDH1A1 3468/4885
US-20190264107-A1 COMPOUND, POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM NR2E3, NR3C2, NR2C2 NPC1 2583/4885RAB9A 3559/4885ALDH1A1 3021/4885
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PDE8A, MAPT, PLK4 NPC1 3200/4885RAB9A 3436/4885ALDH1A1 3468/4885
US-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 NPC1 404/4885RAB9A 2782/4885ALDH1A1 1667/4885
US-20170008862-A1 METHOD FOR MANUFACTURING 1,1-DISUBSTITUTED HYDRAZINE COMPOUND HRH1, HBZ, H1-0 NPC1 2157/4885RAB9A 603/4885ALDH1A1 209/4885
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S NPC1 3672/4885RAB9A 3942/4885ALDH1A1 987/4885
US-11203716-B2 Compound, polymerizable compound, mixture, polymerizable liquid crystal composition, polymer, optical film, optically anisotropic product, polarizing plate, flat panel display device, organic electroluminescence display device, and anti-reflection film NR2E3, NR3C2, NR2C2 NPC1 2544/4885RAB9A 3627/4885ALDH1A1 3011/4885
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S NPC1 3672/4885RAB9A 3942/4885ALDH1A1 987/4885
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative HAO2, IDH2, HACL2 NPC1 2261/4885RAB9A 3845/4885ALDH1A1 159/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.