SCHEMBL16705642

SCHEMBL16705642

C=CCN(N)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL15722528 0.85 L3MBTL1 (0.44) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL11381000 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL16705692 0.79 NPC1 (0.48) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL15722676 0.76 NPC1 (0.46) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL16851750 0.76 NPC1 (0.48) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL15722746 0.76 NPC1 (0.46) ALDH1A1L3MBTL1LMNAMAPTUBE2T
SCHEMBL16705579 0.76 NPC1 (0.46) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL15722690 0.76 NPC1 (0.50) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL15722691 0.75 UBE2T (0.44) ALDH1A1L3MBTL1LMNAMAPTMEN1
SCHEMBL16705673 0.75 UBE2T (0.44) ALDH1A1L3MBTL1LMNAMAPTMEN1

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 11 patents. 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-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-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-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2019-01-08 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-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 (6 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 ALDH1A1 987/4885L3MBTL1 176/4885LMNA 180/4885
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PDE8A, MAPT, PLK4 ALDH1A1 3468/4885L3MBTL1 2549/4885LMNA 919/4885
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PDE8A, MAPT, PLK4 ALDH1A1 3468/4885L3MBTL1 2549/4885LMNA 919/4885
US-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 ALDH1A1 1667/4885L3MBTL1 4793/4885LMNA 565/4885
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S ALDH1A1 987/4885L3MBTL1 176/4885LMNA 180/4885
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S ALDH1A1 987/4885L3MBTL1 176/4885LMNA 180/4885

“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.