SCHEMBL28970

SCHEMBL28970

Cc1c(C(=O)O)c(=O)n(C2CCOCC2)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.44
PKM P14618 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCND3 P30281 3/20 0.40
CDK6 Q00534 3/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
DHODH Q02127 1/20 0.36
RORC P51449 2/20 0.36
EBP Q15125 1/20 0.35
ALDH1A1 P00352 2/20 0.35
FKBP1A P62942 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP11B2 P19099 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34

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
SCHEMBL28774 0.88 CNR1 (0.42) USP2PKMCNR1CNR2CDK4
SCHEMBL30608053 0.81 CNR1 (0.40) USP2PKMCNR1CNR2JAK2
SCHEMBL29091385 0.81 CNR1 (0.40) USP2PKMCNR1CNR2JAK2
SCHEMBL29534 0.81 PDE1A (0.41) ALDH1A1
SCHEMBL30796025 0.81 PDE1A (0.41) ALDH1A1
SCHEMBL26122315 0.76 CNR1 (0.40) USP2PKMCNR1CNR2JAK2
SCHEMBL15473627 0.76 KIF11 (0.49) DHODHRORCALDH1A1
SCHEMBL29782 0.70 RORA (0.55) RORCSMN1; SMN2
SCHEMBL30608099 0.69 GABRP (0.43) ALDH1A1SMN1; SMN2
SCHEMBL26123194 0.69 GABRP (0.43) ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025239-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-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-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 USP2 3261/4885PKM 1021/4885CNR1 163/4885

“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.