SCHEMBL1497058

SCHEMBL1497058

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
ROCK1 Q13464 2/20 0.40
IDO1 P14902 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ROCK2 O75116 1/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL12831708 0.92 PDCD1 (0.37) HIF1AROCK1HDAC3HDAC1HDAC2
SCHEMBL1497072 0.92 PDCD1 (0.38) HIF1AROCK1IDO1SMN1; SMN2HDAC3
SCHEMBL1483172 0.91 HIF1A (0.42) HIF1AROCK1MEN1KMT2AHDAC3
SCHEMBL1497014 0.87 HIF1A (0.48) HIF1AROCK1HDAC3HDAC1HDAC2
SCHEMBL1496945 0.87 HIF1A (0.41) HIF1AROCK1IDO1NPC1RAB9A
SCHEMBL8004129 0.87 ROCK2 (0.40) HIF1AROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL1496888 0.87 ROCK1 (0.40) HIF1AROCK1MEN1KMT2AHDAC3
SCHEMBL8001271 0.86 HIF1A (0.41) HIF1AROCK1HDAC3HDAC1HDAC2
SCHEMBL8004725 0.86 PDCD1 (0.37) ROCK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8001278 0.85 HDAC2 (0.39) ROCK1NPC1RAB9ASMN1; SMN2HDAC3

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 1202/4885ROCK1 2339/4885IDO1 878/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HIF1A 2109/4885ROCK1 4291/4885IDO1 283/4885

“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.