SCHEMBL1497055

SCHEMBL1497055

COc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3cscc3N)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8001655 0.92 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL1497063 0.91 ROCK2 (0.46) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL7988715 0.91 ROCK1 (0.41) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL1497067 0.90 ROCK2 (0.41) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL8001402 0.90 ROCK1 (0.41) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL1496968 0.87 POLB (0.42) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL1497000 0.87 CYP3A4 (0.39) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL1496903 0.87 PDCD1 (0.38) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL7998192 0.86 HTT (0.42) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL8004725 0.85 PDCD1 (0.37) HDAC1HDAC3HDAC2HDAC10NCOR2

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 8 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
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 HDAC1 893/4885HDAC3 1037/4885HDAC2 2017/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HDAC1 986/4885HDAC3 2595/4885HDAC2 1000/4885

“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.