SCHEMBL2096530

SCHEMBL2096530

CCc1c(F)c(Cl)nc(Cl)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DHODH Q02127 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
SORT1 Q99523 1/20 0.31
METAP2 P50579 1/20 0.31

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
Hydrochloric Acid SCHEMBL10440713 0.98 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL10440712 0.86 KEAP1 (0.30) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL30932668 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL2094993 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL2092313 0.76 GAA (0.38) ALDH1A1MAPK1
SCHEMBL5775563 0.75
SCHEMBL5775555 0.75
SCHEMBL5775558 0.75
Hydrochloric Acid SCHEMBL9088762 0.74 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL8133509 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2FABP4FABP5

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
EP-0153580-B2 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1993-03-17 EP disclosed
EP-0387802-A2 5-Substituted-1,4-dihydro-4-oxonaphthyridine-3-carboxylate antibacterial agents Bristol-Myers Squibb Company (US) 1990-09-19 EP disclosed
EP-0153580-B1 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-01-25 EP disclosed
EP-0153580-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 EP 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 ALDH1A1 1518/4885MAPK1 979/4885SMN1; SMN2 3568/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 ALDH1A1 292/4885MAPK1 341/4885SMN1; SMN2 2135/4885

“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.