SCHEMBL1497018

SCHEMBL1497018

Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HDAC1 Q13547 3/20 0.46
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1497022 0.92 NAMPT (0.49) NAMPTHSD17B10POLBALDH1A1TSHR
SCHEMBL3832107 0.90 HDAC1 (0.53) NAMPTHSD17B10POLBALDH1A1HDAC1
SCHEMBL1496913 0.90 USP2 (0.45) NAMPTHSD17B10POLBALDH1A1TSHR
SCHEMBL8001327 0.86 HSD17B10 (0.47) NAMPTHSD17B10POLBALDH1A1TSHR
SCHEMBL8004867 0.85 OPRM1 (0.50) NAMPTPOLBALDH1A1TSHROPRM1
SCHEMBL1497088 0.85 OPRM1 (0.44) NAMPTALDH1A1TSHRHDAC1OPRM1
SCHEMBL2473813 0.85 HDAC1 (0.51) ALDH1A1HDAC1KDM4EGLAGAA
SCHEMBL1497160 0.84 KDM4E (0.48) NAMPTHSD17B10ALDH1A1TSHRHDAC1
SCHEMBL2476752 0.84 HDAC1 (0.57) NAMPTPOLBALDH1A1HDAC1
SCHEMBL11898635 0.83 HDAC1 (0.45) NAMPTHSD17B10ALDH1A1TSHRHDAC1

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
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
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 NAMPT 2931/4885HSD17B10 2440/4885POLB 2414/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 NAMPT 3366/4885HSD17B10 1852/4885POLB 3976/4885

“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.