SCHEMBL85902

SCHEMBL85902

N#Cc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.43
F10 P00742 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 2/20 0.41
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.41
PGR P06401 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 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
SCHEMBL143175 0.77 ALDH1A1 (0.54) F10
SCHEMBL31456623 0.76 OPRM1 (0.41) HTR1AF10CYP11B2
SCHEMBL10079094 0.76 KDM4E (0.55) TSHRPOLB
SCHEMBL2645575 0.75 DDB1 (0.41) F10
SCHEMBL16812371 0.75 PKM (0.44) PKMCYP19A1CYP11B2ELANEPOLB
SCHEMBL17979531 0.75 MCHR1 (0.53)
SCHEMBL15212468 0.75 OPRM1 (0.41) HTR1AF10
SCHEMBL142777 0.74 F10 (0.44) F10
SCHEMBL2539751 0.74 F10 (0.39) F10
SCHEMBL92819 0.74 KDM4E (0.57) PKMF10ELANE

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 40 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
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 HTR1A 1776/4885PKM 985/4885TSHR 1702/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HTR1A 1562/4885PKM 2122/4885TSHR 2852/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 HTR1A 315/4885PKM 1736/4885TSHR 1763/4885

“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.