SCHEMBL9928792

SCHEMBL9928792

C(=Cc1ccc(-c2ccncc2)cc1)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.62
CYP21A2 P08686 2/20 0.62
CYP11B1 P15538 2/20 0.62
MAPT P10636 6/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HBB P68871 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL9928791 1.00 CYP17A1 (0.62) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL9966009 0.89 MAPT (0.65) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL135604 0.89 MAPT (0.65) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL2604924 0.88 NOTUM (0.61) CYP17A1CYP21A2CYP11B1MAPTNPC1
SCHEMBL9928730 0.88 NOTUM (0.61) CYP17A1CYP21A2CYP11B1MAPTNPC1
SCHEMBL29069527 0.88 NOTUM (0.61) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL29069523 0.88 NOTUM (0.61) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL9804661 0.86 CYP3A4 (0.52) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL107198 0.86 MAPT (0.61) CYP17A1CYP21A2CYP11B1MAPTLMNA
SCHEMBL138489 0.86 MAPT (0.61) CYP17A1CYP21A2CYP11B1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903445-A Metal coordination polymer with sunlight stimulus response function, and preparation method and application thereof 广西民族大学 2024-04-19 CN claimed
CN-105418491-A 1-(4-pyridyl)-4-(4'-pyridyl vinyl) benzene and preparation method and application thereof UNIV HUAIBEI NORMAL 2016-03-23 CN claimed
CN-117903445-A Metal coordination polymer with sunlight stimulus response function, and preparation method and application thereof 广西民族大学 2024-04-19 CN disclosed
CN-117903445-A Metal coordination polymer with sunlight stimulus response function, and preparation method and application thereof 广西民族大学 2024-04-19 CN disclosed
CN-105418491-A 1-(4-pyridyl)-4-(4'-pyridyl vinyl) benzene and preparation method and application thereof UNIV HUAIBEI NORMAL 2016-03-23 CN disclosed
CN-105418491-A 1-(4-pyridyl)-4-(4'-pyridyl vinyl) benzene and preparation method and application thereof UNIV HUAIBEI NORMAL 2016-03-23 CN disclosed
CN-105418491-A 1-(4-pyridyl)-4-(4'-pyridyl vinyl) benzene and preparation method and application thereof UNIV HUAIBEI NORMAL 2016-03-23 CN disclosed
US-20140194605-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS, INC. (US) 2014-07-10 US disclosed
US-20120156491-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS INC. (US) 2012-06-21 US 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 (2 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-20140194605-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR CYP17A1 1520/4885CYP21A2 2424/4885CYP11B1 2458/4885
US-20120156491-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR CYP17A1 1520/4885CYP21A2 2424/4885CYP11B1 2458/4885

“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.