SCHEMBL7998723

SCHEMBL7998723

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
HDAC1 Q13547 6/20 0.39
HDAC3 O15379 5/20 0.39
HDAC2 Q92769 5/20 0.39
NCOR2 Q9Y618 2/20 0.39
NCOR1 O75376 1/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
MAPT P10636 1/20 0.37
ROCK1 Q13464 3/20 0.37
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
RET P07949 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
SCHEMBL1497067 0.91 ROCK2 (0.41) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL7988715 0.90 ROCK1 (0.41) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1497063 0.89 ROCK2 (0.46) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1496890 0.89 ROCK2 (0.49) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL7998192 0.87 HTT (0.42) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1497029 0.87 ROCK2 (0.42) ROCK2HDAC1PDCD1CD274MAPT
SCHEMBL8001402 0.86 ROCK1 (0.41) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL1496903 0.84 PDCD1 (0.38) ROCK2HDAC1HDAC3HDAC2NCOR2
SCHEMBL7998186 0.84 ROCK1 (0.38) HDAC1HDAC3HDAC2NCOR2PDCD1
SCHEMBL1497055 0.84 HDAC1 (0.44) 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
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
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 3193/4885HDAC1 893/4885HDAC3 1037/4885
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.