SCHEMBL4078028

SCHEMBL4078028

N#Cc1ccc(C(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.68
CYP2A6 P11509 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.44
MMP3 P08254 1/20 0.44
ENPP2 Q13822 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2C19 P33261 1/20 0.44
GSK3B P49841 1/20 0.41
OPRD1 P41143 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL29038977 0.90 CYP19A1 (0.63) CYP19A1CYP2A6CA2ALDH1A1CA12
SCHEMBL1343704 0.90 CYP19A1 (0.63) CYP19A1CYP2A6CA2ALDH1A1CA12
SCHEMBL22044381 0.88 CYP19A1 (0.57) CYP19A1CYP2A6CA2ALDH1A1CA12
SCHEMBL29038984 0.84 CYP19A1 (0.53) CYP19A1CA2CA12CA9TSHR
SCHEMBL13403830 0.82 CYP19A1 (0.52) CYP19A1CYP2A6CA2ALDH1A1CA12
SCHEMBL2355389 0.82 CYP19A1 (1.00) CYP19A1CYP2A6CA2ALDH1A1CA12
SCHEMBL45942 0.80 CA2 (0.69) CYP2A6CA2ALDH1A1CA12CA3
Water SCHEMBL28254092 0.80 CA2 (0.69) CYP2A6CA2ALDH1A1CA12CA3
Water SCHEMBL28189314 0.80 CA2 (0.69) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL2503454 0.80 CA2 (0.69) CYP2A6CA2ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375657-A Preparation method of letrozole impurity A 南京亿华药业有限公司 2023-07-04 CN claimed
CN-120092029-A Resin composition, cured product, prepreg, metal foil-clad laminate, resin composite sheet, and printed wiring board 三菱瓦斯化学株式会社 2025-06-03 CN disclosed
CN-114787120-B Compound and method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2024-08-09 CN disclosed
CN-118251445-A Cyclic organosiloxane containing imide bond and polymerizable unsaturated bond and curable resin composition containing the same 信越化学工业株式会社 2024-06-25 CN disclosed
CN-116813824-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
CN-116490350-A Resin composition, prepreg, resin sheet, metal foil-clad laminate, and printed wiring board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-116375657-A Preparation method of letrozole impurity A 南京亿华药业有限公司 2023-07-04 CN disclosed
CN-116375657-A Preparation method of letrozole impurity A 南京亿华药业有限公司 2023-07-04 CN disclosed
CN-116375657-A Preparation method of letrozole impurity A 南京亿华药业有限公司 2023-07-04 CN disclosed
CN-113348079-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-06-02 CN disclosed
WO-2007039912-A1 A ONE POT PROCESS FOR THE PREPARATION OF 4-[1-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE USV LIMITED (IN) 2007-04-12 WO disclosed
US-20070066831-A1 Process for the preparation of letrozole SICOR, INC. 2007-03-22 US disclosed
US-20060128775-A1 Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-06-15 US disclosed
EP-1594850-A2 REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4- 1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE Sun Pharmaceuticals Industries Ltd. (IN) 2005-11-16 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
WO-2004076409-A2 REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4-[1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-09-10 WO disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 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 (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-20070066831-A1 Process for the preparation of letrozole CYP19A1, CYP4B1, CYP3A4 CYP19A1 1/4885CYP2A6 163/4885CA2 1657/4885
US-20060128775-A1 Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile CYP4B1, KDM4B, CYP3A4 CYP19A1 1741/4885CYP2A6 1022/4885CA2 2994/4885

“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.