SCHEMBL24084

SCHEMBL24084

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
TACR1 P25103 2/20 0.46
EIF4A1 P60842 1/20 0.37
PTGER4 P35408 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 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
SCHEMBL23208 0.89 TACR1 (0.43) DHODHTACR1MRGPRX4KDM4ERAB9A
SCHEMBL21613 0.84 DHODH (0.46) DHODHEIF4A1AKR1B1
SCHEMBL21973 0.84 DHODH (0.46) DHODHEIF4A1AKR1B1KDM4ETDP1
SCHEMBL20614 0.81 DHODH (0.48) DHODHEIF4A1KDM4ETDP1
SCHEMBL21596 0.81 KCNQ3 (0.45) TACR1PTGER4KDM4E
SCHEMBL20784 0.80 DHODH (0.51) DHODHEIF4A1KDM4E
SCHEMBL23433 0.79 DHODH (0.46) DHODHEIF4A1MRGPRX4KDM4E
SCHEMBL22161 0.78 TACR1 (0.43) TACR1KDM4E
Hydrochloric Acid SCHEMBL22807 0.78 DHODH (0.49) DHODHEIF4A1KDM4E
SCHEMBL1721616 0.76 DHODH (0.46) DHODHEIF4A1KDM4ETDP1

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 DHODH 3082/4885TACR1 2506/4885EIF4A1 3400/4885

“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.