SCHEMBL16705673

SCHEMBL16705673

C#CCN(N)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 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
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL16705596 0.85 UBE2T (0.41) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL18369558 0.82 NPC1 (0.43) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL16851809 0.79 ALOX15 (0.44) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL16705692 0.79 NPC1 (0.48) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL15722676 0.76 NPC1 (0.46) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL16851750 0.76 NPC1 (0.48) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL15722746 0.76 NPC1 (0.46) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL10810772 0.76 UBE2T (0.41) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL15722690 0.76 NPC1 (0.50) UBE2TASIC3NPC1RAB9AALOX15
SCHEMBL16705642 0.75 ALDH1A1 (0.46) UBE2TASIC3NPC1RAB9AALOX15

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10934246-B2 Mixture of polymerizable compound and method of producing the same ZEON CORPORATION (JP) 2021-03-02 US disclosed
US-20200148622-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2020-05-14 US disclosed
US-10577306-B2 Mixture of polymerizable compound and method of producing the same ZEON CORPORATION (JP) 2020-03-03 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-20190152934-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, HALOGENATED COMPOUND, AND MIXTURE ZEON CORPORATION (JP) 2019-05-23 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
EP-2871192-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORP (JP) 2018-06-20 EP disclosed
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
EP-3279181-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD FOR PRODUCING SAME Zeon Corporation (JP) 2018-02-07 EP disclosed
US-20170335193-A1 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) 2017-11-23 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 (11 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-10934246-B2 Mixture of polymerizable compound and method of producing the same DDT, CA4, DNMT3B UBE2T 3774/4885ASIC3 1714/4885NPC1 3990/4885
US-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PYM1, C5, C1S UBE2T 1547/4885ASIC3 2321/4885NPC1 3672/4885
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B UBE2T 3774/4885ASIC3 1714/4885NPC1 3990/4885
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PDE8A, MAPT, PLK4 UBE2T 4256/4885ASIC3 1312/4885NPC1 3200/4885
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PDE8A, MAPT, PLK4 UBE2T 4256/4885ASIC3 1312/4885NPC1 3200/4885
US-20190152934-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, HALOGENATED COMPOUND, AND MIXTURE HSD11B2, DHCR7, DHPS UBE2T 1120/4885ASIC3 4666/4885NPC1 1850/4885
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S UBE2T 1547/4885ASIC3 2321/4885NPC1 3672/4885
US-20200148622-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B UBE2T 3774/4885ASIC3 1714/4885NPC1 3990/4885
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S UBE2T 1547/4885ASIC3 2321/4885NPC1 3672/4885
US-10577306-B2 Mixture of polymerizable compound and method of producing the same DDT, CA4, DNMT3B UBE2T 3774/4885ASIC3 1714/4885NPC1 3990/4885
US-20170335193-A1 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 UBE2T 1829/4885ASIC3 3247/4885NPC1 2926/4885

“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.