SCHEMBL21917

SCHEMBL21917

CCOC(=O)c1c(OC)nc2cc(F)ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GRM6 O15303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
ALPL P05186 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
DHODH Q02127 1/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL31422777 0.85 ALDH1A1 (0.48) TSHRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL22256 0.85 TSHR (0.52) TSHRALDH1A1KDM4ESMN1; SMN2GRM6
SCHEMBL1721271 0.81 TSHR (0.48) TSHRALDH1A1KDM4ESMN1; SMN2GRM6
SCHEMBL31423136 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL30795749 0.78 KCNQ3 (0.62) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21737 0.78 KCNQ3 (0.62) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL28890541 0.76 TSHR (0.51) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL31442708 0.75 TSHR (0.60) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21543 0.75 KCNQ3 (0.51) MAPTMAPK1POLB
SCHEMBL30794662 0.75 KCNQ3 (0.51) MAPTMAPK1POLB

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 7 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
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP 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 TSHR 3730/4885ALDH1A1 3218/4885KDM4E 505/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TSHR 3730/4885ALDH1A1 3218/4885KDM4E 505/4885

“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.