SCHEMBL6779931

SCHEMBL6779931

Nc1nc2cc(C(=O)NCc3cccc(C(=O)O)c3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.53
PLAU P00749 1/20 0.52
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 2/20 0.52
CYP4Z1 Q86W10 1/20 0.48
MMP13 P45452 1/20 0.47
CYP2D6 P10635 1/20 0.47
EPHX2 P34913 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MPO P05164 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 1/20 0.45
ABL1 P00519 1/20 0.44
FABP6 P51161 1/20 0.44

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
SCHEMBL1870891 0.80 FABP6 (0.55) PLAUABL1FABP6
SCHEMBL6784014 0.80 NR1H4 (0.55) NR1H4PLAUROCK2ROCK1CYP4Z1
Hydrochloric Acid SCHEMBL4682527 0.79 FABP6 (0.54) PLAUABL1FABP6
SCHEMBL6784034 0.78 HSP90AA1 (0.64) NR1H4ROCK2ROCK1CYP4Z1MMP13
SCHEMBL10022606 0.77 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL29032775 0.77 CFD (0.59) NR1H4PLAUROCK2ROCK1CYP2D6
SCHEMBL29032785 0.77 CFD (0.53) PLAUROCK2ROCK1MMP13CYP2D6
SCHEMBL30452215 0.77 CFD (0.59) NR1H4PLAUROCK2ROCK1CYP2D6
SCHEMBL6785734 0.76 ITGB3 (0.47) PLAUABL1FABP6
SCHEMBL12109586 0.75 PLAU (0.57) PLAUCYP2D6EGLN1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response THE PROCTER & GAMBLE COMPANY 2004-01-08 US disclosed
WO-2002016327-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS NEUTROPHIL INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-02-28 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 (1 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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response MPO, SERPINB1, NCF1 NR1H4 853/4885PLAU 318/4885ROCK2 381/4885

“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.