SCHEMBL1497447

SCHEMBL1497447

CCCNC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
PDCD1 Q15116 6/20 0.35
CD274 Q9NZQ7 6/20 0.35
ROCK1 Q13464 2/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ROCK2 O75116 3/20 0.33
RAF1 P04049 1/20 0.32
P2RX3 P56373 1/20 0.32
TRPA1 O75762 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL7989983 0.94 HDAC1 (0.36) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL1496961 0.93 PDCD1 (0.36) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL3234544 0.92 HDAC1 (0.40) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL1496862 0.90 HTR5A (0.40) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL1496921 0.90 TRPA1 (0.34) HDAC1PDCD1CD274ROCK1CKS1B
SCHEMBL1497457 0.90 PDCD1 (0.37) HDAC1PDCD1CD274ROCK1CKS1B
SCHEMBL1496860 0.90 ROCK2 (0.38) HDAC1HDAC3HDAC2PDCD1CD274
SCHEMBL1496875 0.90 HTR5A (0.39) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL1496843 0.89 KMT2A (0.40) HDAC1HDAC3HDAC2NCOR2ROCK1
SCHEMBL12831883 0.89 RAF1 (0.37) HDAC1PDCD1CD274ROCK1CKS1B

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
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US 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.