SCHEMBL1497010

SCHEMBL1497010

Nc1cscc1NC(=O)c1ccc(CN(CCN2CCCC2)C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
USP28 Q96RU2 1/20 0.36
MCHR1 Q99705 2/20 0.36
MCHR2 Q969V1 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
NAMPT P43490 1/20 0.35
HDAC2 Q92769 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL1497140 0.95 HDAC1 (0.41) HIF1AHDAC1HDAC6LMNATHRB
SCHEMBL7999005 0.94 HDAC3 (0.39) HIF1AHDAC1HDAC6POLBTSHR
SCHEMBL7999342 0.93 POLB (0.46) HIF1APOLBTSHRLMNATHRB
SCHEMBL7998217 0.89 AVPR1A (0.41) HIF1AHDAC1HDAC6TLR7NAMPT
SCHEMBL1497201 0.89 NAMPT (0.45) POLBTSHRLMNANAMPT
SCHEMBL1482239 0.88 NAMPT (0.43) POLBTSHRLMNANAMPT
SCHEMBL1496917 0.86 SIGMAR1 (0.40) HIF1AHDAC1HDAC6POLBTSHR
SCHEMBL1483172 0.86 HIF1A (0.42) HIF1AHDAC1HDAC2ROCK2ROCK1
SCHEMBL12250204 0.86 HDAC1 (0.42) HIF1AHDAC1HDAC6TLR7HDAC2
SCHEMBL8002846 0.86 NAMPT (0.45) HIF1APOLBTSHRNAMPT

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 HIF1A 1202/4885HDAC1 893/4885HDAC6 3122/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HIF1A 2109/4885HDAC1 986/4885HDAC6 1946/4885

“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.