SCHEMBL1497083

SCHEMBL1497083

Cc1cccc(NC(=O)N(CCCN(C)C)Cc2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.39
ALK Q9UM73 1/20 0.39
HDAC1 Q13547 4/20 0.39
ROCK2 O75116 4/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KDR P35968 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
ROCK1 Q13464 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.95 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7988413 0.91 ROCK2 (0.46) KMT2AMITFSMN1; SMN2HDAC1ROCK2
SCHEMBL4224014 0.90 HDAC1 (0.49) KMT2AMITFMEN1ALDH1A1LMNA
SCHEMBL11892998 0.88 ROCK2 (0.42) HDAC1ROCK2PDCD1CD274HDAC6
SCHEMBL1496842 0.87 KMT2A (0.40) KMT2AMITFMEN1ALDH1A1LMNA
SCHEMBL1482707 0.87 HDAC1 (0.38) HDAC1ROCK2PDCD1CD274HDAC6
SCHEMBL1496995 0.87 TSHR (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL1497030 0.87 ROCK2 (0.43) SMN1; SMN2HDAC1ROCK2HDAC6HDAC3
SCHEMBL1497119 0.86 ROCK2 (0.42) ALDH1A1SMN1; SMN2HDAC1ROCK2PDCD1
SCHEMBL1496890 0.86 ROCK2 (0.49) SMN1; SMN2HDAC1ROCK2PDCD1CD274

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 7 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
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 KMT2A 2284/4885MITF 1364/4885MEN1 2127/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KMT2A 2239/4885MITF 201/4885MEN1 1744/4885

“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.