SCHEMBL1497015

SCHEMBL1497015

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 7/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 4/20 0.34
USP2 O75604 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
S1PR1 P21453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL1497093 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL1496937 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL1496927 0.87 RAB9A (0.37) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL11918275 0.87 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL1496975 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL8004473 0.80 ROCK2 (0.40) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL1496929 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL1496931 0.79 ALDH1A1 (0.31) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL8004422 0.79 ROCK2 (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1482300 0.79 ROCK2 (0.41)

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-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 (1 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-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885MEN1 1744/4885KMT2A 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.