SCHEMBL22377

SCHEMBL22377

COc1nc2ccccc2c(C)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
DHODH Q02127 3/20 0.50
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PADI4 Q9UM07 2/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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 0.84 POLB (0.58) PDE10AKMT2AMEN1TSHRDHODH
SCHEMBL27693524 0.81 KMT2A (0.54) PDE10AKMT2AMEN1TSHRDHODH
SCHEMBL10265349 0.80 PDE10A (0.74) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL1264633 0.78 PDE10A (0.62) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL26617556 0.78 PDE10A (0.62) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL20614 0.78 DHODH (0.48) DHODHKDM4EALDH1A1
SCHEMBL16832425 0.77 KMT2A (0.66) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL7533563 0.77 PDE10A (0.60) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL30682020 0.77 PDE10A (0.60) PDE10AKMT2AMEN1HTTTSHR
SCHEMBL27855178 0.77 PDE10A (0.60) PDE10AKMT2AMEN1HTTTSHR

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 PDE10A 2002/4885KMT2A 235/4885MEN1 3887/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 PDE10A 2002/4885KMT2A 235/4885MEN1 3887/4885

“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.