SCHEMBL1496858

SCHEMBL1496858

Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 6/20 0.40
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
ROCK1 Q13464 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL1496842 0.95 KMT2A (0.40) MEN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3224939 0.94 MEN1 (0.42) MEN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL1496905 0.92 ROCK2 (0.39) ALDH1A1ROCK2PDCD1CD274ROCK1
SCHEMBL12831865 0.92 ROCK2 (0.41) ROCK2PDCD1CD274ROCK1CYP3A4
SCHEMBL1496834 0.92 ROCK2 (0.46) LMNASMN1; SMN2ROCK2PDCD1CD274
SCHEMBL1496853 0.92 ROCK2 (0.49) SMN1; SMN2ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL8004078 0.89 ROCK2 (0.42) MEN1KMT2AROCK2PDCD1CD274
SCHEMBL1497118 0.89 NAMPT (0.45) ALDH1A1ROCK2PDCD1CD274ROCK1
SCHEMBL3233986 0.89 HDAC1 (0.42) MEN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL1497472 0.89 ROCK2 (0.39) ROCK2PDCD1CD274ROCK1CYP3A4

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 9 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-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
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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 MEN1 2127/4885ALDH1A1 1240/4885KMT2A 2284/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 MEN1 1744/4885ALDH1A1 829/4885KMT2A 2239/4885

“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.