SCHEMBL1496852

SCHEMBL1496852

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCN2CCCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL1497139 0.96 ROCK2 (0.32) ROCK2MCHR1
SCHEMBL10476411 0.96 CSF1R (0.31)
SCHEMBL1496963 0.95 CASR (0.34) ROCK2ROCK1
SCHEMBL10476409 0.92 TSHR (0.32) ROCK2
SCHEMBL10476402 0.92 USP2 (0.38) ROCK2
SCHEMBL1496844 0.91 USP2 (0.36) ROCK2
SCHEMBL3232062 0.91 ROCK2 (0.33) ROCK2MCHR1
SCHEMBL3226053 0.91 ABL1 (0.32) ROCK2ROCK1
SCHEMBL1482181 0.91 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL10476401 0.90 HDAC1 (0.33)

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 ROCK2 3193/4885ROCK1 2339/4885MCHR1 137/4885

“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.