SCHEMBL21765

SCHEMBL21765

COc1c(F)cccc1CNC(=O)c1c(Cl)nc2cc(C(F)(F)F)ccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
TACR1 P25103 2/20 0.37
DDR1 Q08345 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL21655 0.90 PPARD (0.40) PPARDPPARATP53KMT2AMEN1
SCHEMBL21468 0.88 HSD17B13 (0.42) TP53KMT2AMEN1LMNANPSR1
SCHEMBL1722262 0.86 DDR1 (0.41) PPARDPPARAKMT2AMEN1MAPT
SCHEMBL16500363 0.82 F7 (0.38) PPARDPPARAKMT2AMEN1MAPT
SCHEMBL21758 0.81 RIPK1 (0.39) PPARDPPARATP53KMT2AMEN1
SCHEMBL22408 0.81 ALDH1A1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1721890 0.75 KMT2A (0.46) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL16500192 0.75 F7 (0.37) KMT2AMEN1MAPTPKMLMNA
SCHEMBL20971 0.74 KCNQ3 (0.44) TP53MAPTTACR1
SCHEMBL30794432 0.74 KCNQ3 (0.46) CYP1A2CYP2D6CYP2C19TACR1KDM4E

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 PPARD 1632/4885PPARA 2304/4885TP53 4644/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 PPARD 1632/4885PPARA 2304/4885TP53 4644/4885

“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.