SCHEMBL1496918

SCHEMBL1496918

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NC(F)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.36
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
ROCK2 O75116 1/20 0.36
HTR5A P47898 2/20 0.35
SCD O00767 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
HCRTR1 O43613 1/20 0.33
ATM Q13315 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPRB P23467 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
SCHEMBL1497091 0.87 TRPA1 (0.38) ROCK1ROCK2HTR5APDCD1CD274
SCHEMBL1496967 0.87 HTR5A (0.40) ROCK1ROCK2HTR5APDCD1CD274
SCHEMBL1496862 0.85 HTR5A (0.40) ROCK1ROCK2HTR5APDCD1CD274
SCHEMBL1497070 0.85 TRPA1 (0.36) ROCK1ROCK2PDCD1CD274
SCHEMBL1497457 0.85 PDCD1 (0.37) ROCK1ROCK2PDCD1CD274CKS1B
SCHEMBL1496875 0.85 HTR5A (0.39) ROCK1ROCK2HTR5ASCDPDCD1
SCHEMBL1497069 0.84 PDCD1 (0.36) ROCK1ROCK2SCDPDCD1CD274
SCHEMBL3231989 0.83 PDCD1 (0.40) ROCK1ROCK2HTR5APDCD1CD274
SCHEMBL1496961 0.83 PDCD1 (0.36) ROCK1ROCK2PDCD1CD274CKS1B
SCHEMBL1496921 0.82 TRPA1 (0.34) ROCK1ROCK2SCDPDCD1CD274

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 2 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-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 ROCK1 2339/4885PSEN1 4284/4885PSEN2 4206/4885

“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.