SCHEMBL1497129

SCHEMBL1497129

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1cccc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.42
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
ROCK1 Q13464 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR5A P47898 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
TSHR P16473 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
SCHEMBL1496974 0.91 MEN1 (0.43) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL1497119 0.90 ROCK2 (0.42) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL1496890 0.90 ROCK2 (0.49) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL1497002 0.89 ROCK2 (0.51) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL12831865 0.86 ROCK2 (0.41) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL8004774 0.86 ROCK2 (0.45) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL8000653 0.86 ROCK2 (0.45) ROCK2PDCD1CD274ROCK1HDAC1
SCHEMBL1482300 0.86 ROCK2 (0.41) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL1497083 0.86 KMT2A (0.42) ROCK2PDCD1CD274ROCK1HDAC1
SCHEMBL1497046 0.86 ROCK2 (0.46) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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 ROCK2 3193/4885PDCD1 4160/4885CD274 4096/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885PDCD1 4547/4885CD274 4718/4885

“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.