SCHEMBL6607470

SCHEMBL6607470

CC(=O)Nc1c(O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.45
CTSH P09668 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KCNMA1 Q12791 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 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
SCHEMBL8293656 0.85 ALDH1A1 (0.50) HTTTDP1MAPTNPSR1ALDH1A1
SCHEMBL3615057 0.83 ALDH1A1 (0.47) HTTTDP1MAPTNPSR1ALDH1A1
SCHEMBL9827140 0.82 MAOB (0.45) CTSBCTSHTDP1ALDH1A1KCNMA1
SCHEMBL30939738 0.79 ALDH1A1 (0.47) HTTMAPTNPSR1ALDH1A1KDM4E
SCHEMBL4479590 0.79 ALDH1A1 (0.47) HTTMAPTNPSR1ALDH1A1KDM4E
SCHEMBL249599 0.79 KCNMA1 (0.56) HTTTDP1MAPTNPSR1KCNMA1
SCHEMBL7123707 0.77 NPSR1 (0.55) HTTTDP1MAPTNPSR1ALDH1A1
SCHEMBL30539486 0.77 NPSR1 (0.55) HTTTDP1MAPTNPSR1ALDH1A1
SCHEMBL5705174 0.76 KMT2A (0.43) HTTTDP1MAPTNPSR1ALDH1A1
SCHEMBL30002032 0.76 ALDH1A1 (0.47) HTTMAPTNPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP disclosed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 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 (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-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 CTSB 4163/4885CTSH 4157/4885HTT 4641/4885

“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.