SCHEMBL85901

SCHEMBL85901

NCc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 3/20 0.39
KLK1 P06870 1/20 0.39
F10 P00742 5/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
P2RX3 P56373 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MCL1 Q07820 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL6641850 0.81 VHL (0.57) F10ITGB1ITGA4P2RX3MEN1
SCHEMBL14490265 0.81 MGLL (0.48) SMN1; SMN2F10ITGB1ITGA4MEN1
SCHEMBL2538719 0.81 F10 (0.39) F10ITGB1ITGA4P2RX3MEN1
SCHEMBL16880726 0.81 F10 (0.41) F10ITGB1ITGA4P2RX3MEN1
SCHEMBL1675566 0.79 CA2 (0.47) F10ITGB1ITGA4CA2
SCHEMBL16794615 0.78 TDP1 (0.47) F10ITGB1ITGA4P2RX3MEN1
SCHEMBL76912 0.78 SMN1; SMN2 (0.52) SMN1; SMN2F10ALDH1A1CA12CA1
SCHEMBL143175 0.77 ALDH1A1 (0.54) SMN1; SMN2F10MEN1MAPTKMT2A
SCHEMBL13705836 0.77 MCHR1 (0.42) F10ITGB1ITGA4P2RX3MEN1
SCHEMBL27239031 0.76 POLB (0.59) LOXL2KLKB1KLK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
WO-2025067540-A1 PYRAZOLOTRIAZINE AND PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2025-04-03 WO disclosed
CN-106999339-A Device for treating conditions associated with sebum production 欧莱雅 2017-08-01 CN 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
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
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP 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 (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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX LOXL2 598/4885TAAR1 2578/4885SMN1; SMN2 2860/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 LOXL2 746/4885TAAR1 2194/4885SMN1; SMN2 3430/4885

“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.