SCHEMBL564816

SCHEMBL564816

Cn1ccc2c(N)cccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PARP1 P09874 3/20 0.54
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BRD4 O60885 8/20 0.45
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL30098515 1.00 GAA (0.56) GAAPARP1TDP1ALDH1A1CYP3A4
SCHEMBL13833580 0.78 GAA (0.57) GAAALDH1A1BRD4TP53L3MBTL1
SCHEMBL2858463 0.78 CYP2A6 (0.54) GAAPARP1ALDH1A1HPGDBRD4
SCHEMBL12702816 0.78 PARP1 (0.67) PARP1MAPTPOLB
SCHEMBL5140683 0.77 GAA (0.56) GAABRD4TP53L3MBTL1MAPT
SCHEMBL8063482 0.77 GAA (0.56) GAABRD4TP53L3MBTL1MAPT
SCHEMBL28702896 0.77 GAA (0.56) GAABRD4TP53L3MBTL1MAPT
SCHEMBL8268239 0.77 GAA (0.56) GAAPARP1ALDH1A1CYP3A4HPGD
SCHEMBL30529453 0.77 GAA (0.56) GAAPARP1BRD4TP53L3MBTL1
SCHEMBL15519326 0.77 GAA (0.56) GAAPARP1BRD4TP53L3MBTL1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof INTENDIS GMBH (DE) 2014-07-17 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF SCHWEIZER STEFFEN (DE) 2012-02-09 US claimed
EP-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP claimed
US-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-11-06 US claimed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 WO claimed
EP-1982976-A1 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof Intendis GmbH (DE) 2008-10-22 EP claimed
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
EP-1982976-A1 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof Intendis GmbH (DE) 2008-10-22 EP disclosed
US-7417056-B2 5-substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-08-26 US disclosed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed
EP-1844039-A1 5-SUBSTITUTED QUINOLINE AND ISOQUINOLINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-17 EP disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-01 US disclosed
WO-2006050998-A1 5-SUBSTITUTED QUINOLINE AND ISOQUINOLINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-18 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 (7 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-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents NFKBIA, PTGS2, PTGES2 GAA 1091/4885PARP1 1327/4885TDP1 4190/4885
US-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 GAA 3723/4885PARP1 3773/4885TDP1 4776/4885
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 GAA 3723/4885PARP1 3773/4885TDP1 4776/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 GAA 2507/4885PARP1 3135/4885TDP1 2327/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 GAA 2507/4885PARP1 3135/4885TDP1 2327/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH GAA 228/4885PARP1 4265/4885TDP1 3768/4885
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof CYP2F1, CYP4A11, CYP11B1 GAA 3767/4885PARP1 3779/4885TDP1 4797/4885

“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.