SCHEMBL1496839

SCHEMBL1496839

COc1ccc(CCNC(=O)N(CCCN2CCOCC2)Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
PDE4B Q07343 2/20 0.41
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1496985 0.90 USP2 (0.45) TSHRUSP2POLBROCK2HSD17B10
SCHEMBL1496989 0.90 TSHR (0.52) TSHRALDH1A1KDM4EHPGDGLA
SCHEMBL1497445 0.89 KDM4E (0.40) TSHRALDH1A1KDM4EHPGDGLA
SCHEMBL1496851 0.89 USP2 (0.45) TSHRALDH1A1KDM4EMAPTTP53
SCHEMBL1496867 0.88 USP2 (0.43) TSHRUSP2KMT2APOLBROCK2
SCHEMBL8004861 0.88 USP2 (0.45) TSHRUSP2KMT2APOLBROCK2
SCHEMBL1497016 0.87 USP2 (0.43) TSHRALDH1A1KDM4EMAPTTP53
SCHEMBL1496922 0.87 USP2 (0.43) TSHRALDH1A1KDM4EMAPTTP53
SCHEMBL8001525 0.86 POLB (0.42) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL3218367 0.85 USP2 (0.46) TSHRALDH1A1KDM4EHPGDMAPT

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 TSHR 92/4885ALDH1A1 1240/4885KDM4E 2885/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 TSHR 165/4885ALDH1A1 829/4885KDM4E 2194/4885

“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.