SCHEMBL1496871

SCHEMBL1496871

CN(C)CCC(NC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.47
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPKAPK2 P49137 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
P2RX3 P56373 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34
HDAC1 Q13547 1/20 0.34
FPR2 P25090 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
SCHEMBL1496837 0.91 UTS2R (0.46) UTS2RROCK2ROCK1MCHR1
SCHEMBL10476436 0.90 UTS2R (0.44) UTS2RROCK2ROCK1MAPKAPK2
SCHEMBL11899891 0.90 UTS2R (0.44) UTS2RROCK2ROCK1P2RX3
SCHEMBL1497075 0.90 UTS2R (0.44) UTS2RMAPKAPK2GAAHDAC1
SCHEMBL1496865 0.89 UTS2R (0.36) UTS2RP2RX3FPR2
SCHEMBL11899951 0.88 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL1497094 0.88 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL1497125 0.88 NAMPT (0.42) UTS2RROCK2ROCK1NPC1ALDH1A1
SCHEMBL10476392 0.88 UTS2R (0.47) UTS2RROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL11899970 0.87 UTS2R (0.59) UTS2RROCK2ROCK1ALDH1A1SMN1; SMN2

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 195/4885ROCK2 3193/4885ROCK1 2339/4885

“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.