SCHEMBL1497014

SCHEMBL1497014

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.48
HTR5A P47898 6/20 0.42
HDAC1 Q13547 5/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
SLC6A4 P31645 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1483172 0.96 HIF1A (0.42) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL1496888 0.92 ROCK1 (0.40) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL8001271 0.91 HIF1A (0.41) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL8004129 0.90 ROCK2 (0.40) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL8001655 0.89 HDAC1 (0.43) HDAC1HDAC3HDAC2ROCK2ROCK1
SCHEMBL7988715 0.87 ROCK1 (0.41) HTR5AHDAC1HDAC3HDAC2ROCK2
SCHEMBL8004725 0.87 PDCD1 (0.37) HDAC1HDAC3HDAC2ROCK2ROCK1
SCHEMBL1497072 0.87 PDCD1 (0.38) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL12831708 0.87 PDCD1 (0.37) HIF1AHTR5AHDAC1HDAC3HDAC2
SCHEMBL1497058 0.87 HIF1A (0.44) HIF1AHDAC1HDAC3HDAC2ROCK2

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
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 HIF1A 1202/4885HTR5A 1196/4885HDAC1 893/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HIF1A 2109/4885HTR5A 190/4885HDAC1 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.