SCHEMBL23054971

SCHEMBL23054971

Cc1[nH]c2ccccc2c1CCNCc1ccc(CCC(=O)NO)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
HDAC2 Q92769 12/20 0.55
HDAC3 O15379 11/20 0.55
NCOR2 Q9Y618 8/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
TET3 O43151 1/20 0.55
BRD4 O60885 1/20 0.55
FOXO1 Q12778 1/20 0.55
TET2 Q6N021 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
TET1 Q8NFU7 1/20 0.55
CDK2 P24941 1/20 0.47
EP300 Q09472 1/20 0.46

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
SCHEMBL20232415 0.84 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13949984 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL18415623 0.81 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL23054818 0.78 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL23055089 0.76 HDAC3 (0.54) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL23054972 0.72 HDAC1 (0.52) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL23054956 0.72 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL23054983 0.72 ATM (0.59) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL23055049 0.72 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1885467 0.72 HDAC1 (0.65) HDAC1HDAC2HDAC3NCOR2HDAC6

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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC3 1/4885

“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.