SCHEMBL3571909

SCHEMBL3571909

COc1ccccc1C(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C2=NCCN2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
F10 P00742 3/20 0.43
CNR1 P21554 3/20 0.43
LMNA P02545 3/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CACNA1G O43497 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR3A P46098 1/20 0.38
RAB9A P51151 1/20 0.38
SCN9A Q15858 1/20 0.38
EP300 Q09472 2/20 0.38
FPR1 P21462 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
SCHEMBL3573310 0.91 UTS2R (0.41) ROCK2ROCK1F10LMNAALDH1A1
SCHEMBL3566288 0.91 F10 (0.40) ROCK2ROCK1F10CNR1LMNA
SCHEMBL3558912 0.90 F10 (0.45) F10CNR1MAPTL3MBTL1EP300
SCHEMBL3568353 0.89 F10 (0.44) F10CNR1NPC1MAPTTP53
SCHEMBL3565555 0.88 F10 (0.43) F10CNR1MAPTEP300
SCHEMBL3564018 0.88 F10 (0.43) F10CNR1MAPTEP300
SCHEMBL3571915 0.88 F10 (0.45) F10CNR1MAPTEP300
SCHEMBL5823802 0.88 F10 (0.40) ROCK2ROCK1F10CNR1LMNA
SCHEMBL3565027 0.86 EP300 (0.48) F10CNR1ALDH1A1MAPTEP300
SCHEMBL3564096 0.86 EP300 (0.48) F10CNR1ALDH1A1MAPTEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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 (1 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 ROCK2 3506/4885ROCK1 2064/4885F10 9/4885

“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.