SCHEMBL14045145

SCHEMBL14045145

O=[N+]([O-])c1ccc(Oc2ccncc2-c2ccccc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.50
MET P08581 3/20 0.48
CYP19A1 P11511 6/20 0.47
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
RPS6KA3 P51812 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
SCHEMBL1137248 0.92 MET (0.53) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL1136979 0.86 HSPB1 (0.44) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL12385724 0.85 HSPB1 (0.47) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL1137010 0.85 HSPB1 (0.41) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL1137363 0.83 POLB (0.42) HSPB1METALDH1A1MAPTMAPK1
SCHEMBL2257136 0.83 MMP13 (0.41) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL2257142 0.83 MMP13 (0.41) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL30495862 0.82 CCNT1 (0.44) HSPB1MET
SCHEMBL1137142 0.82 SLC22A12 (0.41) HSPB1METCYP19A1CYP11B1CYP11B2
SCHEMBL1891353 0.81 BTK (0.46) HSPB1CYP19A1CYP11B1CYP11B2ALDH1A1

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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HSPB1 3174/4885MET 545/4885CYP19A1 1902/4885

“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.