SCHEMBL20349

SCHEMBL20349

O=C(NCc1cccc(F)c1)c1c(O)nc2cc(C(F)(F)F)ccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
CCR1 P32246 4/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
GLS O94925 1/20 0.43
MAPK14 Q16539 1/20 0.43
CALCA P06881 1/20 0.42
PTGER4 P35408 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
LMNA P02545 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
SCHEMBL20313 0.90 MLYCD (0.45) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL21147 0.87 MLYCD (0.42) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL1721281 0.86 DDR1 (0.44) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL22408 0.81 ALDH1A1 (0.46) MLYCDCCR1MEN1PLA2G1BCYP1A2
SCHEMBL30795400 0.81 KDM4E (0.49) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL30478 0.81 MLYCD (0.43) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL20628 0.81 KDM4E (0.49) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL21419 0.81 TACR1 (0.51) MLYCDCCR1MAOBMEN1PLA2G1B
SCHEMBL22561 0.80 CCR1 (0.42) MLYCDCCR1GLSTACR1
SCHEMBL21363 0.80 CCR1 (0.42) MLYCDCCR1MAOBMEN1PLA2G1B

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 MLYCD 3239/4885CCR1 4505/4885MAOB 1518/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 MLYCD 3239/4885CCR1 4505/4885MAOB 1518/4885

“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.