SCHEMBL1095977

SCHEMBL1095977

O=C(NCc1cc(-c2cccc(-c3ccccc3CN3CCCC3)c2)no1)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
F10 P00742 9/20 0.41
EPHX2 P34913 2/20 0.39
HPGD P15428 2/20 0.39
PIK3CD O00329 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1096158 0.93 F10 (0.43) APPF10EPHX2HPGDKDM4E
SCHEMBL1097307 0.87 F10 (0.46) F10HPGDKDM4ELMNATSHR
SCHEMBL1096522 0.87 CHRM3 (0.45) F10HPGDKDM4ELMNATSHR
SCHEMBL1095906 0.84 HPGD (0.41) F10EPHX2HPGDPIK3CDKDM4E
SCHEMBL1096625 0.83 F10 (0.45) F10KDM4ELMNA
SCHEMBL1095938 0.83 F10 (0.49) F10HPGDKDM4ELMNATSHR
SCHEMBL1095859 0.81 ALDH1A1 (0.48) F10EPHX2HPGDLMNA
SCHEMBL1095791 0.81 ALDH1A1 (0.48) F10EPHX2HPGDLMNA
SCHEMBL1095698 0.80 HPGD (0.53) F10HPGDKDM4ELMNATSHR
SCHEMBL1096320 0.78 HPGD (0.47) F10EPHX2HPGDKDM4ELMNA

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
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
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 APP 1827/4885F10 8/4885EPHX2 497/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 APP 1827/4885F10 8/4885EPHX2 497/4885

“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.