SCHEMBL4842463

SCHEMBL4842463

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
MAPT P10636 8/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 5/20 0.47
MEN1 O00255 5/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCD O00767 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
USP8 P40818 1/20 0.42

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
SCHEMBL4842456 1.00 ALOX5 (0.48) ALOX5MAPTKMT2ANPC1MEN1
SCHEMBL4839109 0.92 RAB9A (0.49) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4839102 0.92 RAB9A (0.49) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4847125 0.92 MAOA (0.47) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4847138 0.92 MAOA (0.47) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4840829 0.92 KMT2A (0.46) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4835479 0.92 MAPT (0.59) ALOX5MAPTKMT2ANPC1MEN1
SCHEMBL4840820 0.92 KMT2A (0.46) MAPTKMT2ANPC1MEN1RAB9A
SCHEMBL4835473 0.92 MAPT (0.59) ALOX5MAPTKMT2ANPC1MEN1
SCHEMBL4842567 0.90 MAPT (0.48) ALOX5MAPTKMT2ANPC1MEN1

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 ALOX5 1083/4885MAPT 646/4885KMT2A 4642/4885

“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.