SCHEMBL1496986

SCHEMBL1496986

Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 6/20 0.46
LMNA P02545 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.46
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.46
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MAPT P10636 5/20 0.43
HTT P42858 1/20 0.43
THRB P10828 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 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
SCHEMBL1496911 0.98 USP2 (0.44) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL11918268 0.96 ALDH1A1 (0.47) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1497032 0.96 ALDH1A1 (0.47) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL8004427 0.95 USP2 (0.41) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1496966 0.94 TSHR (0.41) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1496994 0.92 TSHR (0.45) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL4232494 0.91 ALDH1A1 (0.49) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL7999000 0.91 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL1497021 0.91 ALDH1A1 (0.53) USP2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1497023 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNAKDM4EHPGD

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 USP2 598/4885ALDH1A1 1240/4885HSD17B10 2440/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 USP2 702/4885ALDH1A1 829/4885HSD17B10 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.