SCHEMBL1497119

SCHEMBL1497119

CC(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 3/20 0.39
HDAC1 Q13547 3/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CASR P41180 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
HDAC10 Q969S8 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1496974 0.91 MEN1 (0.43) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1496890 0.90 ROCK2 (0.49) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1497129 0.90 ROCK2 (0.42) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1497002 0.89 ROCK2 (0.51) ROCK2ROCK1HDAC1CYP3A4CYP2D6
SCHEMBL1496905 0.86 ROCK2 (0.39) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL8004774 0.86 ROCK2 (0.45) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL8000653 0.86 ROCK2 (0.45) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1482300 0.86 ROCK2 (0.41) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1497083 0.86 KMT2A (0.42) ROCK2ROCK1HDAC1PDCD1CD274
SCHEMBL1497046 0.86 ROCK2 (0.46) ROCK2ROCK1HDAC1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
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-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 WO 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 ROCK2 3193/4885ROCK1 2339/4885HDAC1 893/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885ROCK1 4291/4885HDAC1 986/4885

“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.