SCHEMBL1095694

SCHEMBL1095694

CC(C)Oc1cc(C(=N)N(C)C)ccc1-c1cc(CNC(=O)c2ccc(Cl)s2)on1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
SLC5A7 Q9GZV3 3/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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 0.91 MAPK1 (0.39) F10LMNAMAPK1HPGDTSHR
SCHEMBL1096592 0.89 F10 (0.39) F10LMNAMAPK1HPGDTSHR
SCHEMBL1096295 0.88 HPGD (0.39) F10LMNAMAPK1HPGDTSHR
SCHEMBL1096677 0.86 ALDH1A1 (0.42) LMNAMAPK1HPGDPOLBKDM4E
SCHEMBL1096490 0.86 SLC5A7 (0.39) F10LMNAHPGDSLC5A7KDM4E
SCHEMBL1106549 0.85 MAPK1 (0.40) F10LMNAMAPK1HPGDTSHR
SCHEMBL1096997 0.85 MAPK1 (0.40) F10LMNAMAPK1HPGDTSHR
SCHEMBL1096135 0.85 SLC5A7 (0.39) F10LMNAHPGDSLC5A7KDM4E
SCHEMBL1096563 0.84 MAPK1 (0.39) F10LMNAMAPK1HPGDTSHR
SCHEMBL1095509 0.82 POLB (0.50) F10LMNAMAPK1HPGDTSHR

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 8/4885LMNA 734/4885MAPK1 2929/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885LMNA 734/4885MAPK1 2929/4885

“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.