SCHEMBL1496955

SCHEMBL1496955

Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc(F)c(F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 4/20 0.47
USP2 O75604 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ROCK2 O75116 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 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
SCHEMBL1496993 0.94 ALDH1A1 (0.50) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL4232530 0.91 HSD17B10 (0.54) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL1497051 0.91 MAPT (0.51) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL1496986 0.89 USP2 (0.47) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL8000862 0.89 USP2 (0.48) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL11918268 0.89 ALDH1A1 (0.47) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL4219626 0.88 HSD17B10 (0.51) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL1483058 0.88 TSHR (0.47) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL1496994 0.87 TSHR (0.45) MAPTHSD17B10TSHRUSP2OPRM1
SCHEMBL1496911 0.87 USP2 (0.44) MAPTHSD17B10TSHRUSP2OPRM1

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 MAPT 4667/4885HSD17B10 2440/4885TSHR 92/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 MAPT 2920/4885HSD17B10 1852/4885TSHR 165/4885

“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.