SCHEMBL128180

SCHEMBL128180

CCN(CC)CCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.66
ROCK2 O75116 9/20 0.54
ROCK1 Q13464 9/20 0.54
MAPT P10636 3/20 0.53
ELOVL1 Q9BW60 1/20 0.47
PARP1 P09874 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MEN1 O00255 1/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL168485 0.90 CASR (0.68) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2466739 0.88 CASR (0.70) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2434872 0.85 CASR (0.67) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2437673 0.84 CASR (0.63) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL12329228 0.83 CASR (0.65) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2431978 0.83 CASR (0.62) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL3636579 0.83 ROCK2 (0.63) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2436404 0.82 CASR (0.59) CASRROCK2ROCK1MAPTPARP1
SCHEMBL12434049 0.82 CASR (0.59) CASRROCK2ROCK1MAPTRAB9A
SCHEMBL2317588 0.81 CASR (0.83) CASRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 CASR 4125/4885ROCK2 1702/4885ROCK1 918/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS CASR 4045/4885ROCK2 2137/4885ROCK1 1876/4885

“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.