SCHEMBL6495307

SCHEMBL6495307

O=[N+]([O-])c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.91
KMT2A Q03164 1/20 0.68
CYP11B1 P15538 9/20 0.63
CYP11B2 P19099 8/20 0.63
CYP17A1 P05093 1/20 0.63
CYP2A6 P11509 1/20 0.55
CYP2B6 P20813 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL78081 0.95 CYP19A1 (1.00) CYP19A1KMT2ACYP11B1CYP11B2CYP2A6
SCHEMBL2529997 0.84 CYP11B1 (0.86) CYP19A1CYP11B1CYP11B2CYP17A1CYP2A6
SCHEMBL1838287 0.83 CYP19A1 (0.66) CYP19A1KMT2ACYP11B1CYP11B2CYP17A1
SCHEMBL9663626 0.81 CYP19A1 (1.00) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL28140208 0.80 CYP19A1 (0.72) CYP19A1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL6868756 0.80 CYP11B1 (0.68) CYP19A1KMT2ACYP11B1CYP11B2CYP17A1
Hydrochloric Acid SCHEMBL9663915 0.79 CYP19A1 (0.97) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL31415763 0.79 CYP19A1 (0.70) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL31415762 0.79 CYP19A1 (0.70) CYP19A1KMT2ACYP11B1CYP11B2
SCHEMBL27632062 0.79 CYP19A1 (0.69) CYP19A1KMT2ACYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 CYP19A1 991/4885KMT2A 2259/4885CYP11B1 444/4885

“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.