SCHEMBL22646

SCHEMBL22646

COc1nc2ccccc2c(OC)c1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
PADI4 Q9UM07 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.43
TACR3 P29371 3/20 0.42
GRM2 Q14416 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL394571 0.88 POLB (0.58) POLBPADI4HDAC6L3MBTL1ALOX15
SCHEMBL26617549 0.84 POLB (0.53) POLBALOX15TACR3GRM2MEN1
SCHEMBL15184756 0.80 PADI4 (0.41) POLBPADI4HDAC6L3MBTL1ALOX15
SCHEMBL398408 0.80 SMN1; SMN2 (0.54) POLBMEN1KMT2AKDM4ENPC1
SCHEMBL27675258 0.80 TACR3 (0.50) POLBL3MBTL1TACR3MEN1KMT2A
SCHEMBL27693524 0.78 KMT2A (0.54) POLBHDAC6L3MBTL1ALOX15TACR3
SCHEMBL10256419 0.78 POLB (0.46) POLBPADI4HDAC6L3MBTL1TACR3
SCHEMBL5488823 0.77 SMN1; SMN2 (0.51) POLBTACR3MEN1KMT2AKDM4E
SCHEMBL29450270 0.77 POLB (0.70) POLBHDAC6L3MBTL1ALOX15KMT2A
SCHEMBL9694998 0.77 POLB (0.70) POLBHDAC6L3MBTL1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 POLB 3749/4885PADI4 3879/4885HDAC6 770/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 POLB 3749/4885PADI4 3879/4885HDAC6 770/4885

“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.