SCHEMBL8002177

SCHEMBL8002177

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
HDAC1 Q13547 10/20 0.45
HDAC3 O15379 10/20 0.45
HDAC2 Q92769 9/20 0.45
NCOR2 Q9Y618 7/20 0.45
ROCK1 Q13464 3/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CENPE Q02224 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL1497046 0.91 ROCK2 (0.46) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1497067 0.90 ROCK2 (0.41) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1496890 0.90 ROCK2 (0.49) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1482300 0.89 ROCK2 (0.41) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1496895 0.89 ROCK2 (0.45) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL8004129 0.89 ROCK2 (0.40) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL8004774 0.88 ROCK2 (0.45) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1497176 0.87 PDCD1 (0.39) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL8000653 0.86 ROCK2 (0.45) ROCK2HDAC1HDAC3HDAC2ROCK1
SCHEMBL1497030 0.85 ROCK2 (0.43) ROCK2HDAC1HDAC3HDAC2NCOR2

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
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 (1 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-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885HDAC1 986/4885HDAC3 2595/4885

“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.