SCHEMBL4051970

SCHEMBL4051970

O=C(O)CCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.54
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GPR35 Q9HC97 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 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
SCHEMBL10686743 0.85 GPR35 (0.46) FBP1GPR35MEN1ALDH1A1LMNA
SCHEMBL3138102 0.85 GPR35 (0.46) FBP1GPR35MEN1ALDH1A1LMNA
SCHEMBL29701589 0.82 GPR35 (0.46) GPR35MEN1ALDH1A1LMNAKMT2A
SCHEMBL7646920 0.82 GPR35 (0.46) GPR35MEN1ALDH1A1LMNAKMT2A
SCHEMBL28137614 0.81 FBP1 (0.54) FBP1FFAR1GPR35TSHR
SCHEMBL4714927 0.81 FFAR1 (0.59) FFAR1FFAR4MEN1ALDH1A1KMT2A
SCHEMBL5696593 0.80 MAPT (0.43) MEN1ALDH1A1LMNAKMT2A
SCHEMBL15511866 0.79 ALDH1A1 (0.43) FBP1GPR35MEN1ALDH1A1LMNA
SCHEMBL30625901 0.79 ALDH1A1 (0.43) GPR35MEN1ALDH1A1LMNAKMT2A
SCHEMBL27708037 0.79 MAPT (0.43) GPR35MEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
EP-1499606-B8 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER (US) 2006-08-30 EP disclosed
EP-1673367-A1 FUSED LACTAM COMPOUNDS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035523-A1 FUSED LACTAM COMPOUNDS PFIZER JAPAN INC. (JP) 2005-04-21 WO disclosed
EP-1499606-A1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2005-01-26 EP disclosed
US-6713490-B2 6-(2-(4-(3-FLUOROPHENYL)-4-HYDROXY-1-PIPERIDINYL)-1-HYDROXY -ETHYL)-3,4-DIHYDRO-2(1H)-QUINOLINONE; REDUCED INHIBITORY ACTIVITY AT HERG (HUMAN ETHER-A-GO-GO RELATED GENE) POTASSIUM CHANNEL PFIZER, INC. 2004-03-30 US disclosed
US-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists KAWAMURA MITSUHIRO (JP) 2003-11-20 US disclosed
WO-2003091241-A1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2003-11-06 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-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists GRIN3B, GRIN1, GRIN2A FBP1 4174/4885FFAR1 275/4885FFAR4 364/4885

“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.