SCHEMBL76912

SCHEMBL76912

Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
F10 P00742 8/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL143175 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1ATMF10GAA
SCHEMBL2645575 0.80 DDB1 (0.41) SMN1; SMN2ALDH1A1ATMF10CA12
SCHEMBL14320317 0.79 MAOA (0.53) SMN1; SMN2ALDH1A1ALOX15HTTATM
SCHEMBL142916 0.78 MEN1 (0.54) ALDH1A1HTTF10GAA
SCHEMBL92819 0.78 KDM4E (0.57) SMN1; SMN2ALDH1A1HTTF10CA1
SCHEMBL2539751 0.78 F10 (0.39) SMN1; SMN2ALDH1A1ATMF10CA12
SCHEMBL29348735 0.78 F10 (0.52) SMN1; SMN2ALDH1A1HTTF10GAA
SCHEMBL142777 0.78 F10 (0.44) ALDH1A1F10KDM4E
SCHEMBL1277801 0.78 FAAH (0.43) SMN1; SMN2ALDH1A1F10KDM4ECYP1A2
SCHEMBL4212713 0.78 F10 (0.56) ALDH1A1ALOX15HTTATMF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382836-A A kind of preparation method of the ketone of 1 (4 aminophenyl) 1H pyridines 2 吴赣药业(苏州)有限公司 2017-11-24 CN claimed
CN-102464658-A Oxazolidinone derivative and preparation method and application thereof TIANJIN INST PHARM RESEARCH 2012-05-23 CN claimed
US-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US claimed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
CN-115073470-B Pyrrolopyrimidinone derivative, and preparation method and application thereof 南京中瑞药业有限公司 2025-02-11 CN disclosed
CN-115073470-A Pyrrolopyrimidinone derivative and preparation method and application thereof 南京中瑞药业有限公司 2022-09-20 CN disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 US disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
US-20040077635-A1 Lactam-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (6 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-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SMN1; SMN2 4365/4885ALDH1A1 4726/4885ALOX15 2798/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 SMN1; SMN2 1794/4885ALDH1A1 381/4885ALOX15 3840/4885
US-20040077635-A1 Lactam-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors PEPD, METAP1, XPNPEP1 SMN1; SMN2 2587/4885ALDH1A1 1770/4885ALOX15 2989/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 SMN1; SMN2 3212/4885ALDH1A1 3406/4885ALOX15 3063/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885ALDH1A1 4184/4885ALOX15 2780/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 SMN1; SMN2 1951/4885ALDH1A1 334/4885ALOX15 3584/4885

“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.