SCHEMBL23208

SCHEMBL23208

COCc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
CFTR P13569 1/20 0.40
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
MAPT P10636 1/20 0.37
DYRK1A Q13627 1/20 0.36
PDE6D O43924 1/20 0.36
PDE5A O76074 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAOB P27338 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
SCHEMBL24084 0.89 DHODH (0.46) TACR1DHODHKDM4EMRGPRX4RAB9A
SCHEMBL21596 0.82 KCNQ3 (0.45) TACR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL22161 0.80 TACR1 (0.43) TACR1KDM4EMAOB
SCHEMBL22194 0.78 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL22585 0.77 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL22920 0.76 KDM4E (0.47) TACR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL20558 0.74 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL21973 0.74 DHODH (0.46) DHODHKDM4E
SCHEMBL21613 0.74 DHODH (0.46) DHODH
SCHEMBL8571497 0.73 CFTR (0.44) CFTRDHODHKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED 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 (1 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TACR1 2506/4885CFTR 230/4885DHODH 3082/4885

“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.