SCHEMBL1496838

SCHEMBL1496838

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCCN2CCOCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 8/20 0.41
LMNA P02545 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41
ROCK2 O75116 1/20 0.41
MAPT P10636 6/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8000742 0.98 USP2 (0.47) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL1496959 0.95 ALDH1A1 (0.43) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL3230017 0.94 USP2 (0.47) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL3235131 0.94 USP2 (0.46) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL1497136 0.93 PIR (0.42) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL1496923 0.93 TSHR (0.41) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL3221268 0.92 USP2 (0.49) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL1496863 0.91 TSHR (0.45) USP2TSHRALDH1A1LMNAKDM4E
SCHEMBL1496847 0.91 PIR (0.40) USP2ALDH1A1LMNAKDM4EHPGD
SCHEMBL1497008 0.90 ALDH1A1 (0.39) USP2TSHRALDH1A1LMNAKDM4E

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 10 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
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 598/4885TSHR 92/4885ALDH1A1 1240/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 USP2 702/4885TSHR 165/4885ALDH1A1 829/4885

“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.