SCHEMBL1496963

SCHEMBL1496963

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL10476402 0.96 USP2 (0.38) ALDH1A1GAALMNATHRBTSHR
SCHEMBL1496844 0.96 USP2 (0.36) CASRALDH1A1GAAMAPK1LMNA
SCHEMBL1496852 0.95 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL10476411 0.95 CSF1R (0.31)
SCHEMBL1497139 0.92 ROCK2 (0.32) TSHRROCK2USP2
SCHEMBL3221274 0.92 USP2 (0.40) ALDH1A1GAALMNATHRBTSHR
SCHEMBL3230027 0.91 USP2 (0.38) CASRALDH1A1GAAMAPK1LMNA
SCHEMBL10476409 0.91 TSHR (0.32) ALDH1A1GAALMNATSHRROCK2
SCHEMBL3235136 0.91 USP2 (0.38) CASRALDH1A1GAAMAPK1LMNA
SCHEMBL3226053 0.90 ABL1 (0.32) CASRALDH1A1GAAMAPK1LMNA

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 CASR 2957/4885ALDH1A1 1240/4885GAA 4745/4885

“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.