SCHEMBL5582440

SCHEMBL5582440

O=C(O)[C@@H](CO)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 3/20 0.49
GAA P10253 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
CASP7 P55210 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
PDK1 Q15118 1/20 0.45

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
SCHEMBL5582439 1.00 MEN1 (0.54) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL5582438 1.00 MEN1 (0.54) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL1653003 0.87 GPR35 (0.44) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL10603362 0.87 GPR35 (0.44) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL9068346 0.87 MEN1 (0.53) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL2003175 0.87 MEN1 (0.53) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6404329 0.87 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6404322 0.87 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6695015 0.87 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL28062163 0.87 KMT2A (0.53) MEN1KMT2ARAB9AGAACYP3A4

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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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 (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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 MEN1 4013/4885KMT2A 111/4885RAB9A 4411/4885

“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.