SCHEMBL1095953

SCHEMBL1095953

CCOc1cc(C(=N)N2CCCC2)ccc1-c1cc(CNC(=O)c2ccc(Cl)s2)on1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.38
HPGD P15428 2/20 0.38
SLC5A7 Q9GZV3 2/20 0.37
F2 P00734 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL1096336 0.99 SLC5A7 (0.38) F10HPGDSLC5A7F2TP53
SCHEMBL1095898 0.92 SLC5A7 (0.41) F10HPGDSLC5A7KDM4ELMNA
SCHEMBL1096904 0.91 SLC5A7 (0.42) F10HPGDSLC5A7KDM4ELMNA
SCHEMBL1096490 0.90 SLC5A7 (0.39) F10HPGDSLC5A7KDM4ELMNA
SCHEMBL1096135 0.89 SLC5A7 (0.39) F10HPGDSLC5A7KDM4ELMNA
SCHEMBL1096726 0.88 HPGD (0.39) F10HPGDSLC5A7KDM4ELMNA
SCHEMBL1096660 0.88 ALDH1A1 (0.40) F10HPGDSLC5A7MAPTPOLB
SCHEMBL1095754 0.86 F10 (0.42) F10HPGDF2KDM4ELMNA
SCHEMBL1097128 0.86 F10 (0.38) F10HPGDPOLBKDM4ELMNA
SCHEMBL1095550 0.86 F10 (0.38) F10HPGDF2POLBKDM4E

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 F10 8/4885HPGD 316/4885SLC5A7 1558/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885HPGD 316/4885SLC5A7 1558/4885

“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.