SCHEMBL5943951

SCHEMBL5943951

O=C(NO)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.70
KMT2A Q03164 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
GLA P06280 3/20 0.69
GAA P10253 3/20 0.69
HPGD P15428 3/20 0.69
MEN1 O00255 3/20 0.66
MAPK13 O15264 6/20 0.62
MAPK12 P53778 6/20 0.62
MAPK11 Q15759 6/20 0.62
MAPK14 Q16539 6/20 0.62
RAF1 P04049 4/20 0.62
GCGR P47871 3/20 0.62
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
GFER P55789 1/20 0.62
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61

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
SCHEMBL572542 0.88 KDM4E (0.67) ALOX5KMT2AKDM4EALDH1A1GLA
SCHEMBL2593317 0.85 KDM4E (0.91) ALOX5KMT2AKDM4EALDH1A1GLA
SCHEMBL20573581 0.83 MAPK13 (0.62) ALOX5KMT2AKDM4EALDH1A1GLA
SCHEMBL5607119 0.83 KDM4E (0.72) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL4553424 0.82 ALOX5 (1.00) ALOX5KMT2AKDM4EALDH1A1HPGD
SCHEMBL4552086 0.82 RAF1 (0.88) ALOX5KMT2AKDM4EALDH1A1GLA
SCHEMBL12561695 0.82 KDM4E (0.80) ALOX5KMT2AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL19816007 0.82 KDM4E (0.71) KMT2AKDM4EALDH1A1GLAGAA
Methane SCHEMBL3278320 0.82 MAPK13 (0.79) ALOX5KMT2AKDM4EALDH1A1GLA
SCHEMBL5074753 0.82 MAPK13 (0.83) ALOX5KMT2AKDM4EALDH1A1GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 ALOX5 4002/4885KMT2A 100/4885KDM4E 418/4885

“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.