SCHEMBL8004473

SCHEMBL8004473

Nc1cscc1NC(=O)c1ccc(CN(CCN2CCCC2)C(=O)Nc2ccsc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 3/20 0.40
MCHR1 Q99705 5/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8004422 0.95 ROCK2 (0.41) ROCK2ROCK1MCHR1ALDH1A1GAA
SCHEMBL1496929 0.94 ALDH1A1 (0.39) ROCK2ROCK1ALDH1A1GAALMNA
SCHEMBL8004767 0.93 ALDH1A1 (0.49) ROCK2ROCK1ALDH1A1GAALMNA
SCHEMBL1497009 0.89 USP2 (0.41) ROCK2MCHR1ALDH1A1GAALMNA
SCHEMBL8000862 0.88 USP2 (0.48) ROCK2ALDH1A1GAALMNATHRB
SCHEMBL7999000 0.86 ALDH1A1 (0.42) ROCK2ROCK1MCHR1ALDH1A1GAA
SCHEMBL1482918 0.86 KDM4E (0.43) ROCK2ROCK1MCHR1ALDH1A1GAA
SCHEMBL1497109 0.86 ROCK2 (0.40) ROCK2ROCK1MCHR1ALDH1A1GAA
SCHEMBL1482300 0.85 ROCK2 (0.41) ROCK2ROCK1CYP3A4HDAC1
SCHEMBL1496943 0.84 KCNH2 (0.38) MCHR1ALDH1A1GAALMNATHRB

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 3193/4885ROCK1 2339/4885MCHR1 137/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885ROCK1 4291/4885MCHR1 192/4885

“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.