SCHEMBL1497445

SCHEMBL1497445

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCc2ccc3c(c2)OCO3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 6/20 0.40
EPHX2 P34913 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 2/20 0.36
APAF1 O14727 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL3234400 0.94 HSD17B10 (0.44) KDM4EALDH1A1HPGDHSD17B10EPHX2
SCHEMBL9915261 0.91 ALK (0.37) ALDH1A1SMN1; SMN2TP53IDO1NPC1
SCHEMBL1496985 0.90 USP2 (0.45) HSD17B10USP2TSHRCD274OPRM1
SCHEMBL1496839 0.89 TSHR (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1497047 0.88 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10EPHX2
SCHEMBL1496851 0.88 USP2 (0.45) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL1496867 0.88 USP2 (0.43) HSD17B10USP2TSHRCD274OPRM1
SCHEMBL7997914 0.88 FAAH (0.38) ALDH1A1HPGDSMN1; SMN2GAAIDO1
SCHEMBL8000742 0.87 USP2 (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8004861 0.87 USP2 (0.45) HSD17B10USP2TSHRCD274OPRM1

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
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 KDM4E 2885/4885ALDH1A1 1240/4885HPGD 2370/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KDM4E 2194/4885ALDH1A1 829/4885HPGD 1525/4885

“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.