SCHEMBL1496900

SCHEMBL1496900

CC(C)NC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.44
HDAC1 Q13547 15/20 0.41
HDAC3 O15379 5/20 0.41
HDAC2 Q92769 4/20 0.41
NCOR2 Q9Y618 2/20 0.41
HDAC10 Q969S8 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
F10 P00742 1/20 0.37
ROCK1 Q13464 2/20 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
SCHEMBL1482611 0.87 PDCD1 (0.38) PTGESHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497105 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL1497054 0.85 GAA (0.45) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL7997047 0.84 PTGES (0.41) PTGESHDAC1HDAC3HDAC2NCOR2
SCHEMBL1496954 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL1496983 0.82 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL1497088 0.81 OPRM1 (0.44) HDAC1HDAC6
SCHEMBL1482523 0.81 RAB9A (0.44) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL10476435 0.81 ACVR1 (0.35) PTGESHDAC1HDAC3HDAC2NCOR2
SCHEMBL1497134 0.79 PDCD1 (0.38) HDAC1HDAC3HDAC2NCOR2HDAC10

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 7 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
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 PTGES 3530/4885HDAC1 893/4885HDAC3 1037/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 PTGES 2083/4885HDAC1 986/4885HDAC3 2595/4885

“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.