SCHEMBL22065496

SCHEMBL22065496

COc1ccc([N+](=O)[O-])c(C(=O)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C1 Q04828 2/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MERTK Q12866 1/20 0.46
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.45
RAF1 P04049 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL22065392 0.88 ALDH1A1 (0.52) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL6564098 0.85 AKR1C3 (0.47) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL22064872 0.83 ALDH1A1 (0.40) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL269614 0.83 AKR1C3 (0.63) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL12326834 0.83 ALDH1A1 (0.53) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL30580504 0.83 AKR1C3 (0.63) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL13564438 0.82 HSPB1 (0.48) ALDH1A1LMNASMN1; SMN2MERTKMAPT
SCHEMBL4946199 0.81 AKR1C3 (0.51) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL268414 0.81 TDP1 (0.62) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL404510 0.81 MAPT (0.51) ALDH1A1AKR1C3AKR1C2AKR1B10AKR1B1

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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 ALDH1A1 3104/4885AKR1C3 4608/4885AKR1C2 4228/4885

“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.