SCHEMBL1096592

SCHEMBL1096592

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
NAMPT P43490 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1096283 0.92 MAPK1 (0.39) F10TP53MAPTHPGDPOLB
SCHEMBL1095694 0.89 F10 (0.38) F10TP53HPGDPOLBMAPK1
SCHEMBL1096295 0.89 HPGD (0.39) F10MAPTHPGDPOLBMAPK1
SCHEMBL1096677 0.87 ALDH1A1 (0.42) MAPTHPGDPOLBMAPK1L3MBTL1
SCHEMBL1106549 0.86 MAPK1 (0.40) F10HPGDPOLBMAPK1TSHR
SCHEMBL1096997 0.86 MAPK1 (0.40) F10HPGDPOLBMAPK1TSHR
SCHEMBL1095953 0.85 F10 (0.38) F10TP53MAPTHPGDPOLB
SCHEMBL1096336 0.85 SLC5A7 (0.38) F10TP53MAPTHPGDPOLB
SCHEMBL1096563 0.85 MAPK1 (0.39) F10MAPTHPGDPOLBMAPK1
SCHEMBL1095509 0.83 POLB (0.50) F10MAPTHPGDPOLBMAPK1

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 8/4885TP53 3707/4885MAPT 3722/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885TP53 3707/4885MAPT 3722/4885

“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.