SCHEMBL1496828

SCHEMBL1496828

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccc(F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 3/20 0.47
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ROCK2 O75116 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
CASR P41180 2/20 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
SCHEMBL3224606 0.95 TSHR (0.51) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL3234688 0.93 TSHR (0.49) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL1483058 0.91 TSHR (0.47) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL8004217 0.90 ALDH1A1 (0.47) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL1496956 0.89 USP2 (0.48) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL8000742 0.88 USP2 (0.47) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL3218279 0.88 TSHR (0.52) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL3223656 0.88 TSHR (0.44) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL1497051 0.88 MAPT (0.51) TSHRMAPTHSD17B10USP2ALDH1A1
SCHEMBL3227168 0.87 TSHR (0.61) TSHRMAPTHSD17B10USP2ALDH1A1

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