SCHEMBL701343

SCHEMBL701343

NCc1ccc(Cl)cc1CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
IDO1 P14902 5/20 0.45
CYP3A4 P08684 5/20 0.44
PNMT P11086 3/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
SLC22A1 O15245 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HSPD1 P10809 1/20 0.44
HSPA5 P11021 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL4574317 0.86 IDO1 (0.43) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL17231912 0.86 CYP2A6 (0.43) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL21741544 0.86 CYP2A6 (0.43) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL14625313 0.86 CYP2A6 (0.43) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL1307331 0.86 IDO1 (0.43) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL9479134 0.85 CYP3A4 (0.45) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL7424709 0.83 IDO1 (0.41) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL42557 0.82 PNMT (0.52) CYP2A6IDO1CYP3A4PNMTALOX15
SCHEMBL109291 0.82 IDO1 (0.60) CYP2A6IDO1CYP3A4PNMTSMN1; SMN2
SCHEMBL7378131 0.81 CYP2A6 (0.40) CYP2A6IDO1CYP3A4PNMTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 EP disclosed
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 EP disclosed
EP-2655399-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA The Medicines Company (Leipzig) GmbH (DE) 2013-10-30 EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 US disclosed
EP-1926743-B1 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa MEDICINES CO LEIPZIG GMBH (DE) 2013-05-15 EP disclosed
EP-1926743-B1 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa MEDICINES CO LEIPZIG GMBH (DE) 2013-05-15 EP disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 US disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 WO disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 WO disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
EP-1926743-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa Curacyte Chemistry GmbH (DE) 2008-06-04 EP disclosed
EP-1926743-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa Curacyte Chemistry GmbH (DE) 2008-06-04 EP disclosed
WO-2007031343-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa CURACYTE CHEMISTRY GMBH (DE) 2007-03-22 WO disclosed
WO-2007031343-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa CURACYTE CHEMISTRY GMBH (DE) 2007-03-22 WO disclosed
CN-1894214-A New 5,6-dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
US-5198564-A Anticarcinogenic agents BEIJING POLYTECHNIC UNIVERSITY (CN) 1993-03-30 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 (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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 CYP2A6 964/4885IDO1 1741/4885CYP3A4 746/4885
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa F2, F11, TFPI CYP2A6 515/4885IDO1 1291/4885CYP3A4 439/4885

“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.