SCHEMBL4879448

SCHEMBL4879448

NC(=O)CC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL294341 0.88 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Acetamide SCHEMBL9403703 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4190203 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8069055 0.86 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3079965 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL1011103 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL338280 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Methylamine SCHEMBL6755739 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3803222 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Formamide SCHEMBL16431220 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101215261-B Method for synthesizing of 2-oxo-3-pyridine formic acid ester and derivatives thereof NANJING UNIVERSITY OF TECHNOLOGY 2011-09-07 CN claimed
CN-101215261-A Method for synthesizing of 2-oxo-3-pyridine formic acid ester and derivatives thereof NANJING UNIVERSITY OF TECHNOLOGY (CN) 2008-07-09 CN claimed
WO-2006016237-A2 HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO claimed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN claimed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
CN-101506158-A Novel 6-5 series bicyclic heterocyclic derivative and medical application thereof SANWA KAGAKU KENKYUSHO CO (JP) 2009-08-12 CN disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US 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 (3 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885MAPK1 1878/4885L3MBTL1 4714/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885MAPK1 1878/4885L3MBTL1 4714/4885
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 ALDH1A1 1206/4885MAPK1 2256/4885L3MBTL1 3301/4885

“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.