SCHEMBL4824792

SCHEMBL4824792

O=[N+]([O-])c1cccc2nc(C(F)(F)F)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.48
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
IGF1R P08069 1/20 0.43
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
NOS1 P29475 1/20 0.41
GUSB P08236 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL8563242 0.84 IGF1R (0.54) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL28044640 0.80 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL28252545 0.77 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL1200287 0.77 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL28286502 0.77 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL6272457 0.77 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL3955324 0.77 ALDH1A1 (1.00) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL4818048 0.77 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL27795495 0.75 ALDH1A1 (0.64) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL8331153 0.75 ALDH1A1 (0.63) ALDH1A1POLBTDP1NCOA1NCOA3

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-1659144-B Quinoline and isoquinoline derivatives, process for their preparation and their use as inflammation inhibitors SCHERING AG 2010-09-08 CN disclosed
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
CN-1659144-A Quinoline and isoquinoline derivatives, process for their preparation and their use as inflammation inhibitors SCHERING AG (DE) 2005-08-24 CN 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 1624/4885TDP1 3228/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ALDH1A1 1538/4885POLB 1624/4885TDP1 3228/4885

“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.