SCHEMBL1497113

SCHEMBL1497113

CN(C)CCC(NC(=O)NCc1ccncc1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.45
NAMPT P43490 6/20 0.37
ROCK2 O75116 1/20 0.37
BACE1 P56817 1/20 0.36
HDAC1 Q13547 1/20 0.34
CYP17A1 P05093 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL1496976 0.92 UTS2R (0.45) UTS2RNAMPTHDAC1
SCHEMBL1497075 0.92 UTS2R (0.44) UTS2RHDAC1MAPKAPK2
SCHEMBL1497003 0.91 UTS2R (0.44) UTS2R
SCHEMBL1496965 0.89 UTS2R (0.39) UTS2RROCK2MAPKAPK2
SCHEMBL1496861 0.89 UTS2R (0.42) UTS2RROCK2
SCHEMBL1497033 0.88 UTS2R (0.44) UTS2RROCK2HDAC1
SCHEMBL10476403 0.87 UTS2R (0.38) UTS2RROCK2
SCHEMBL11899951 0.87 UTS2R (0.40) UTS2RROCK2
SCHEMBL1496907 0.87 UTS2R (0.45) UTS2RROCK2
SCHEMBL1497094 0.86 UTS2R (0.40) UTS2RROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 UTS2R 195/4885NAMPT 2931/4885ROCK2 3193/4885

“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.