SCHEMBL4912239

SCHEMBL4912239

CCCCCc1cccc2c1C([C]=O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
LIPG Q9Y5X9 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
ALOX5 P09917 1/20 0.35

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
SCHEMBL3425449 0.78 LIPG (0.41) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL6760397 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL1797128 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL6759465 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL235557 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL8752773 0.77 LIPG (0.47) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL6758783 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL167383 0.77 LIPG (0.44) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL18242278 0.77 BCHE (0.41) NR1H2NR1H3CYSLTR2CYSLTR1LIPG
SCHEMBL5176665 0.75 ACHE (0.46) NR1H2NR1H3CYSLTR2CYSLTR1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 WO claimed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US disclosed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 WO disclosed
US-5206360-A Bactericides BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-27 US disclosed
US-5169843-A Bactericides BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-08 US disclosed
EP-0484030-A2 Antibiotic C-3 cyclobutenedione substituted (1-carba)cephalosporin compounds, compositions, and methods of use thereof Bristol-Myers Squibb Company (US) 1992-05-06 EP disclosed
US-5106842-A Bactericides BRISTOL-MYERS SQUIBB CO. (US) 1992-04-21 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 (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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 NR1H2 155/4885NR1H3 160/4885CYSLTR2 1873/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 NR1H2 200/4885NR1H3 209/4885CYSLTR2 1737/4885

“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.