SCHEMBL168485

SCHEMBL168485

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.68
MAPT P10636 2/20 0.60
ROCK2 O75116 10/20 0.59
ROCK1 Q13464 10/20 0.59
PHGDH O43175 1/20 0.50
ELOVL1 Q9BW60 1/20 0.48
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 1/20 0.47
STAT3 P40763 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL128180 0.90 CASR (0.66) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL2466739 0.89 CASR (0.70) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL3636579 0.87 ROCK2 (0.63) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL2431978 0.87 CASR (0.62) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL2434872 0.87 CASR (0.67) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL2437673 0.86 CASR (0.63) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL12329228 0.85 CASR (0.65) CASRMAPTROCK2ROCK1ELOVL1
SCHEMBL2317588 0.82 CASR (0.83) CASRNPC1
SCHEMBL2436404 0.82 CASR (0.59) CASRMAPTROCK2ROCK1NPC1
SCHEMBL127385 0.82 CASR (0.82) CASR

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 10 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-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

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 4125/4885MAPT 2367/4885ROCK2 1702/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS CASR 4045/4885MAPT 1861/4885ROCK2 2137/4885

“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.