SCHEMBL4822352

SCHEMBL4822352

COc1ccc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TXNRD1 Q16881 9/20 0.48
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4824153 0.84 ALDH1A1 (0.60) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL21282209 0.79 MEN1 (0.58) ALDH1A1POLBMAPTRAB9AS1PR4
SCHEMBL3955324 0.79 ALDH1A1 (1.00) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL28286502 0.79 ALDH1A1 (0.66) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL10430135 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTRAB9AS1PR4
SCHEMBL7709300 0.76 PDE10A (0.54) ALDH1A1MAPTRAB9AS1PR4S1PR1
SCHEMBL4816829 0.76 ALDH1A1 (0.67) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL4818048 0.76 ALDH1A1 (0.66) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL6272457 0.76 ALDH1A1 (0.66) ALDH1A1POLBMAPTRAB9AMAPK1
SCHEMBL28252545 0.76 ALDH1A1 (0.66) ALDH1A1POLBMAPTRAB9AMAPK1

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
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ALDH1A1 1538/4885POLB 1624/4885MAPT 1366/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ALDH1A1 1538/4885POLB 1624/4885MAPT 1366/4885

“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.