SCHEMBL1496954

SCHEMBL1496954

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.49
HDAC3 O15379 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC4 P56524 7/20 0.49
HDAC7 Q8WUI4 7/20 0.49
HDAC10 Q969S8 7/20 0.49
HDAC11 Q96DB2 7/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC9 Q9UKV0 7/20 0.49
HDAC5 Q9UQL6 7/20 0.49
NCOR2 Q9Y618 2/20 0.47
HTR5A P47898 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL1496983 0.91 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2471364 0.88 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7988715 0.88 ROCK1 (0.41) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8001893 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1496900 0.83 PTGES (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1497105 0.83 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1497018 0.81 NAMPT (0.48) HDAC1
SCHEMBL1497054 0.80 GAA (0.45) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8001402 0.80 ROCK1 (0.41) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1497067 0.80 ROCK2 (0.41) HDAC1HDAC3HDAC2HDAC4HDAC7

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 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.