SCHEMBL3336907

SCHEMBL3336907

Cc1cc(C(=O)O)c(=O)n(C(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 7/20 0.38
GRM1 Q13255 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL3336263 0.84 NOTUM (0.39) KDM4EGAANOTUMALDH1A1LMNA
SCHEMBL3337607 0.84 MYC (0.36) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL3336121 0.84 NOTUM (0.39) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL2736526 0.77 KDM4E (0.44) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL2010294 0.75 POLB (0.46) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL8290253 0.74 HAAO (0.46) KDM4EHSD17B10NOTUMALDH1A1LMNA
SCHEMBL216142 0.73 L3MBTL1 (0.45) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL961272 0.71 HTR4 (0.57) POLB
SCHEMBL30827426 0.71 HTR4 (0.57) POLB
SCHEMBL14969090 0.70 KMT2A (0.43) KDM4ESLC22A12ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 US disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 US disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 EP disclosed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 EP disclosed
EP-1713797-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT sb 4 /sb RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-10-25 EP disclosed
WO-2005073222-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-08-11 WO disclosed
WO-2005073222-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-08-11 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-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity HRH4, HRH2, GPR4 KDM4E 2765/4885GAA 3726/4885HPGD 702/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 KDM4E 2765/4885GAA 3726/4885HPGD 702/4885

“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.