SCHEMBL3566972

SCHEMBL3566972

COC(=O)c1ccc(CCc2cccc(N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.58
CYP19A1 P11511 1/20 0.57
CYP4A11 Q02928 4/20 0.55
CYP4F2 P78329 3/20 0.55
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
IDH1 O75874 1/20 0.53
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
CKS1B P61024 1/20 0.52
SKP2 Q13309 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL16420908 0.85 CYP4F2 (0.68) LOXL2CYP19A1CYP4A11CYP4F2IDH1
SCHEMBL12176925 0.84 LOXL2 (0.65) LOXL2CYP4A11CYP4F2MAOAIDH1
SCHEMBL1928912 0.82 TSHR (0.67) LOXL2CYP4A11CYP4F2IDH1TP53
SCHEMBL70185 0.82 CYP4A11 (0.75) LOXL2CYP4A11CYP4F2IDH1TP53
SCHEMBL70173 0.79 CYP4F2 (0.83) LOXL2CYP4A11CYP4F2ALDH1A1HPGD
SCHEMBL28069162 0.78 TP53 (0.56) LOXL2CYP19A1CYP4A11CYP4F2MAOA
SCHEMBL3482674 0.78 CYP19A1 (0.91) CYP19A1MAOAMAOBCYP3A4MAPT
SCHEMBL1926802 0.78 CYP4F2 (0.76) LOXL2CYP4A11CYP4F2ALDH1A1HPGD
SCHEMBL17429664 0.78 CYP4A11 (0.60) LOXL2CYP4A11CYP4F2IDH1TP53
SCHEMBL12176878 0.78 CYP4A11 (0.70) LOXL2CYP4A11CYP4F2MAOAIDH1

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
CN-107337621-A Dicarboxylic acid compound 第三共株式会社 2017-11-10 CN disclosed
CN-107311895-A Dicarboxylic acid compound 第三共株式会社 2017-11-03 CN disclosed
EP-2990400-B1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2017-06-21 EP disclosed
US-9670173-B2 Dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-9617232-B2 Dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-11 US disclosed
US-20170015641-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-19 US disclosed
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
EP-2990400-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-02 EP disclosed
US-20160046568-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
CN-105121405-A Dicarboxylic acid compound DAIICHI SANKYO CO LTD 2015-12-02 CN disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 (4 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-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI LOXL2 3364/4885CYP19A1 4367/4885CYP4A11 2733/4885
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 LOXL2 2027/4885CYP19A1 351/4885CYP4A11 31/4885
US-20170015641-A1 DICARBOXYLIC ACID COMPOUND CA2, HCAR2, SLC5A2 LOXL2 1456/4885CYP19A1 2402/4885CYP4A11 2023/4885
US-20160046568-A1 DICARBOXYLIC ACID COMPOUND CA2, HCAR2, SLC5A2 LOXL2 1456/4885CYP19A1 2402/4885CYP4A11 2023/4885

“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.