SCHEMBL1496913

SCHEMBL1496913

Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 3/20 0.44
NAMPT P43490 5/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8005744 0.93 POLB (0.43) USP2HSD17B10POLBTSHRNAMPT
SCHEMBL1497201 0.93 NAMPT (0.45) USP2HSD17B10POLBTSHRNAMPT
SCHEMBL8002846 0.93 NAMPT (0.45) USP2POLBTSHRNAMPTOPRM1
SCHEMBL1496886 0.92 AVPR1A (0.42) USP2HSD17B10TSHRSMN1; SMN2
SCHEMBL1482239 0.90 NAMPT (0.43) USP2HSD17B10POLBTSHRNAMPT
SCHEMBL1497018 0.90 NAMPT (0.48) HSD17B10POLBTSHRNAMPTOPRM1
SCHEMBL7998655 0.89 USP2 (0.46) USP2POLBTSHROPRM1OPRD1
SCHEMBL7999342 0.88 POLB (0.46) USP2HSD17B10POLBTSHRNAMPT
SCHEMBL1497120 0.87 USP2 (0.46) USP2HSD17B10POLBTSHRNAMPT
SCHEMBL1497080 0.87 USP2 (0.44) USP2TSHRNAMPTOPRM1OPRD1

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
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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 USP2 598/4885HSD17B10 2440/4885POLB 2414/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 USP2 702/4885HSD17B10 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.