SCHEMBL1496988

SCHEMBL1496988

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)NCCc2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CD274 Q9NZQ7 1/20 0.38
TACR2 P21452 11/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 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
SCHEMBL1496874 0.98 SIGMAR1 (0.38) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL1497011 0.97 SIGMAR1 (0.41) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL1496925 0.96 CD274 (0.39) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL3218374 0.95 SIGMAR1 (0.40) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL3228228 0.93 SIGMAR1 (0.40) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL1496947 0.93 SIGMAR1 (0.41) SIGMAR1TACR2CTSKKMT2A
SCHEMBL3227868 0.93 SIGMAR1 (0.39) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL11898694 0.91 CD274 (0.45) SIGMAR1CD274TACR2KDM4EALDH1A1
SCHEMBL1496856 0.91 CD274 (0.41) CD274KDM4EALDH1A1GAALMNA
SCHEMBL1496928 0.89 CD274 (0.40) CD274KDM4EALDH1A1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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 (1 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 SIGMAR1 50/4885CD274 4096/4885TACR2 356/4885

“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.