SCHEMBL1106542

SCHEMBL1106542

CC1(CNC(=O)c2ccc(Cl)s2)CC(c2ccc(C(=N)N3CCC3)cc2)=NO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.36
F10 P00742 9/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1096434 0.98 HPGD (0.40) HPGDALDH1A1KDM4EHTR1AF10
SCHEMBL1096102 0.97 HPGD (0.39) HPGDALDH1A1KDM4EHTR1AF10
SCHEMBL1097037 0.89 F10 (0.35) KDM4EHTR1AF10MAPTMAPK1
SCHEMBL1097355 0.88 HPGD (0.35) HPGDALDH1A1KDM4EHTR1AF10
SCHEMBL1095758 0.87 F10 (0.47) F10MAPTLMNAF2TSHR
SCHEMBL1097081 0.85 KDM4E (0.40) HPGDKDM4EF10MAPK1LMNA
SCHEMBL1100907 0.85 ITGB1 (0.41) HPGDALDH1A1KDM4EHTR1AF10
SCHEMBL1096402 0.85 KDM4E (0.43) HPGDKDM4EF10MAPTMAPK1
SCHEMBL1095731 0.85 MAPK1 (0.41) HPGDKDM4EF10MAPK1LMNA
SCHEMBL1095197 0.83 KDM4E (0.46) HPGDKDM4EF10MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HPGD 316/4885ALDH1A1 974/4885KDM4E 2875/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 316/4885ALDH1A1 974/4885KDM4E 2875/4885

“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.