SCHEMBL85903

SCHEMBL85903

CCc1ccccc1N1CCCC1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.46
MGLL Q99685 1/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 3/20 0.44
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1B P35368 1/20 0.42

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
SCHEMBL11513544 0.89 ALOX5 (0.50) ALOX5APOBEC3AAPOBEC3GCASP1CASP7
SCHEMBL31058356 0.89 ALOX5 (0.46) ALOX5APOBEC3AAPOBEC3GCASP1CASP7
SCHEMBL7594648 0.88 NR1H2 (0.54) ALOX5APOBEC3AAPOBEC3GCASP1CASP7
SCHEMBL9823622 0.86 APOBEC3A (0.47) ALOX5APOBEC3AAPOBEC3GHSD17B10TP53
SCHEMBL10363439 0.82 APOBEC3A (0.44) ALOX5APOBEC3AAPOBEC3GHSD17B10TP53
SCHEMBL6385777 0.81 APOBEC3A (0.49) APOBEC3AAPOBEC3GHSD17B10MEN1MAPT
SCHEMBL17553914 0.80 HSD17B10 (0.49) HSD17B10LMNAMEN1KMT2ATP53
SCHEMBL1901693 0.80 DDB1 (0.56) ALOX5HSD17B10LMNAMEN1MAPT
SCHEMBL31058364 0.80 ALOX5 (0.41) ALOX5APOBEC3AAPOBEC3GCASP1CASP7
SCHEMBL14862539 0.79 APOBEC3A (0.44) ALOX5APOBEC3AAPOBEC3GCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175450-A1 SUBSTITUTED S-ALANINATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2024-08-29 WO disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US disclosed
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US disclosed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
WO-2004087696-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030139442-A1 Vasoactive agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-24 US disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
EP-1262195-A1 VASOACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-12-04 EP disclosed
CN-1176250-A HIV protease inhibitors useful for treatment of AIDS MERCK & CO INC (US) 1998-03-18 CN disclosed
CN-1126469-A HIV protease inhibitors for the treatment of AIDS MERCK & CO INC (US) 1996-07-10 CN 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 (3 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-20030139442-A1 Vasoactive agents VIPR2, VIPR1, GPR4 ALOX5 702/4885APOBEC3A 4764/4885APOBEC3G 4713/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX ALOX5 1861/4885APOBEC3A 3815/4885APOBEC3G 3346/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALOX5 4445/4885APOBEC3A 4357/4885APOBEC3G 3955/4885

“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.