SCHEMBL691258

SCHEMBL691258

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP19A1 P11511 7/20 0.47
MMP3 P08254 1/20 0.46
ENPP2 Q13822 1/20 0.46
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LSS P48449 1/20 0.45
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
BRD4 O60885 1/20 0.44
TSHR P16473 2/20 0.43
GSK3B P49841 1/20 0.43
CA1 P00915 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 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
SCHEMBL23541336 0.93 BRD4 (0.48) CA2CA12CA3CA6CA9
SCHEMBL5664054 0.91 LSS (0.55) CA2CA12CA3CA6CA9
SCHEMBL2515185 0.89 CA2 (0.43) CA2CA12CA3CA6CA9
SCHEMBL21831305 0.89 ALDH1A1 (0.67) CA2CA12CA3CA6CA9
SCHEMBL1348988 0.89 MAOA (0.53) CA2CA12CA3CA6CA9
SCHEMBL23882679 0.89 MAOB (0.53) CA2CA12CA3CA6CA9
SCHEMBL1349663 0.89 KDM4E (0.48) CA2CA12CA3CA6CA9
SCHEMBL30251242 0.87 CYP19A1 (0.53) CA2CA12CA3CA6CA9
SCHEMBL17338939 0.87 CYP19A1 (0.53) CA2CA12CA3CA6CA9
SCHEMBL29044346 0.85 MMP3 (0.50) CA2CA12CA9CA14CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538230-B2 Letrozole production process CHEMAGIS LTD. (IL) 2009-05-26 US claimed
US-20070112202-A1 Letrozole production process CHEMAGIS LTD. (IL) 2007-05-17 US claimed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US claimed
US-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof APOGEE PHARMACEUTICALS, INC. (CA) 2025-08-05 US disclosed
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-09-05 US disclosed
US-20230117674-A1 MICROFLUIDIC REACTOR FOR CONTROLLING CHEMICAL REACTION AND CHEMICAL REACTION CONTROL METHOD USING THE SAME POSTECH Research and Business Development Foundation (KR) 2023-04-20 US disclosed
CN-115884613-A Organic electroluminescent device 固安翌光科技有限公司 2023-03-31 CN disclosed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP disclosed
CN-106470973-B Small molecule L FA-1 inhibitor 阿罗赛特制药公司 2020-08-04 CN disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US disclosed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US disclosed
US-20070112203-A1 The impurity isoletrozole is more rapidly oxidized to 4,4'-dicyanobenzophenone than Letrozole, which can be seperated by crystallization to yield highly purified letrozole CHEMAGIS LTD. (IL) 2007-05-17 US disclosed
US-20070112202-A1 Letrozole production process CHEMAGIS LTD. (IL) 2007-05-17 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 EP disclosed
WO-2004100978-A1 A METHOD OF MODULATING CELLULAR TRANSMIGRATION AND AGENTS FOR USE THEREIN MEDVET SCIENCE PTY. LTD. (AU) 2004-11-25 WO disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 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 (7 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 CA2 4386/4885CA12 3483/4885CA3 3558/4885
US-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 CA2 3924/4885CA12 3688/4885CA3 4417/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 CA2 3924/4885CA12 3688/4885CA3 4417/4885
US-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof MGLL, PNLIP, LPL CA2 4149/4885CA12 4075/4885CA3 3327/4885
US-20070112203-A1 The impurity isoletrozole is more rapidly oxidized to 4,4'-dicyanobenzophenone than Letrozole, which can be seperated by crystallization to yield highly purified letrozole CYP19A1, HSD17B11, SHBG CA2 2649/4885CA12 3122/4885CA3 2039/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL CA2 4149/4885CA12 4075/4885CA3 3327/4885
US-20070112202-A1 Letrozole production process CYP19A1, CDK14, CDK19 CA2 2012/4885CA12 2467/4885CA3 653/4885

“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.