SCHEMBL7999036

SCHEMBL7999036

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.45
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC3 O15379 4/20 0.37
NCOR2 Q9Y618 2/20 0.37
HDAC10 Q969S8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ROCK1 Q13464 2/20 0.34
ACKR3 P25106 1/20 0.34

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 0.89 HIF1A (0.42) HIF1AHDAC1HDAC2HDAC3PDCD1
SCHEMBL8004129 0.89 ROCK2 (0.40) HIF1AHDAC1HDAC2HDAC3NCOR2
SCHEMBL1497014 0.87 HIF1A (0.48) HIF1AHDAC1HDAC2HDAC3ROCK1
SCHEMBL1496916 0.87 HIF1A (0.42) HIF1AHDAC1ALDH1A1KDM4ENPC1
SCHEMBL1496888 0.87 ROCK1 (0.40) HIF1AHDAC1HDAC2HDAC3PDCD1
SCHEMBL8004725 0.86 PDCD1 (0.37) HDAC1HDAC2HDAC3NCOR2HDAC10
SCHEMBL8001278 0.85 HDAC2 (0.39) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL8001655 0.85 HDAC1 (0.43) HDAC1HDAC2HDAC3NCOR2HDAC10
SCHEMBL8001271 0.85 HIF1A (0.41) HIF1AHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL7988715 0.84 ROCK1 (0.41) HDAC1HDAC2HDAC3NCOR2HDAC10

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 6 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
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 893/4885HDAC2 2017/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HIF1A 2109/4885HDAC1 986/4885HDAC2 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.