SCHEMBL4715568

SCHEMBL4715568

O=C(O)CSc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
PNLIP P16233 3/20 0.46
ALDH1A1 P00352 1/20 0.44
MET P08581 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PARG Q86W56 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
BCAT2 O15382 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
SCHEMBL3142159 0.84 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3146704 0.84 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3137838 0.83 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL8915769 0.83 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3131446 0.82 DGAT1 (0.51) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL8915931 0.82 KDM4E (0.52) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3142227 0.82 KDM4E (0.52) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL5171295 0.82 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL13742001 0.81 KDM4E (0.67) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3131474 0.81 KDM4E (0.53) KCNQ3KCNQ2KCNE1KCNQ1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KCNQ3 1570/4885KCNQ2 1451/4885KCNE1 453/4885

“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.