SCHEMBL3138610

SCHEMBL3138610

Cc1cc(NC(C)C(=O)O)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.50
KCNQ2 O43526 9/20 0.50
KCNE1 P15382 5/20 0.50
KCNQ1 P51787 5/20 0.50
DGAT1 O75907 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL4714484 0.85 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3138625 0.81 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6180870 0.79 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL3138614 0.79 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6179288 0.78 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL12522866 0.78 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL6178002 0.76 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL4717167 0.76 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL7235460 0.76 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL4060811 0.75 GRM8 (0.56) KCNQ3KCNQ2KCNE1KCNQ1MEN1

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
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 (3 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
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KCNQ3 4035/4885KCNQ2 3926/4885KCNE1 2330/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KCNQ3 3700/4885KCNQ2 3623/4885KCNE1 2527/4885

“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.