SCHEMBL1096402

SCHEMBL1096402

CC1(CNC(=O)c2ccc(Cl)s2)CC(c2ccc(Cl)cc2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
F10 P00742 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL1100907 0.94 ITGB1 (0.41) KDM4EMAPK1HPGDMAPTTSHR
SCHEMBL1095197 0.92 KDM4E (0.46) KDM4EMAPK1HPGDMAPTTSHR
SCHEMBL1096175 0.90 KDM4E (0.44) KDM4EMAPK1HPGDMAPTTSHR
SCHEMBL1097081 0.88 KDM4E (0.40) KDM4EMAPK1HPGDTSHRMEN1
SCHEMBL1095731 0.87 MAPK1 (0.41) KDM4EMAPK1HPGDTSHRNPC1
SCHEMBL1097154 0.85 F10 (0.37) MAPK1HPGDMAPTTSHRNPC1
SCHEMBL1095661 0.85 MAPK1 (0.39) KDM4EMAPK1HPGDTSHRMEN1
SCHEMBL1096434 0.85 HPGD (0.40) KDM4EMAPK1HPGDMAPTKMT2A
SCHEMBL1106542 0.85 HPGD (0.38) KDM4EMAPK1HPGDMAPTTSHR
SCHEMBL1096102 0.84 HPGD (0.39) KDM4EMAPK1HPGDMAPTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US 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-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-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885MAPK1 2929/4885HPGD 316/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885MAPK1 2929/4885HPGD 316/4885

“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.