SCHEMBL1497093

SCHEMBL1497093

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACVR1 Q04771 3/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
TGFBR1 P36897 2/20 0.34
ACVRL1 P37023 2/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL1497015 0.89 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1496908 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL11918275 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1496975 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1496927 0.84 RAB9A (0.37) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1496884 0.82 GAA (0.43) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL1482918 0.82 KDM4E (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1497121 0.81 KDM4E (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1496938 0.81 GAA (0.50) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1497098 0.80 KDM4E (0.39) ALDH1A1KDM4EHSD17B10NPSR1MEN1

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 8 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
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 ALDH1A1 1240/4885KDM4E 2885/4885HSD17B10 2440/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885KDM4E 2194/4885HSD17B10 1852/4885

“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.