SCHEMBL22624691

SCHEMBL22624691

Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.66
ALB P02768 1/20 0.61
MAOB P27338 1/20 0.57
EGFR P00533 2/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 5/20 0.54
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL22624811 0.86 APP (0.66) APPALBMAOBEGFRMEN1
SCHEMBL22624806 0.86 APP (0.66) APPALBMAOBEGFRMEN1
SCHEMBL22624739 0.86 APP (0.65) APPALBMAOBEGFRMEN1
SCHEMBL22624789 0.85 APP (0.62) APPALBMAOBEGFRMEN1
SCHEMBL22624750 0.85 APP (0.65) APPALBMAOBEGFRMEN1
SCHEMBL22624800 0.85 MAPT (0.60) APPALBMAOBEGFRMEN1
SCHEMBL22624810 0.84 APP (0.63) APPALBMAOBEGFRMEN1
SCHEMBL22624827 0.83 HKDC1 (0.69) APPALBMAOBEGFRMEN1
SCHEMBL22624696 0.83 APP (0.62) APPALBMAOBEGFRMEN1
SCHEMBL22624832 0.83 APP (0.62) APPALBMAOBEGFRMEN1

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-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-10-14 US disclosed
US-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY UNIV HONG KONG POLYTECHNIC (CN) 2020-11-05 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 (2 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-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 APP 2815/4885ALB 3757/4885MAOB 3803/4885
US-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 APP 2815/4885ALB 3757/4885MAOB 3803/4885

“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.