SCHEMBL15480404

SCHEMBL15480404

O=C(CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.65
HDAC8 Q9BY41 12/20 0.65
NCOR2 Q9Y618 3/20 0.65
HDAC1 Q13547 15/20 0.63
HDAC2 Q92769 13/20 0.63
HDAC6 Q9UBN7 12/20 0.63
HDAC11 Q96DB2 10/20 0.63
HDAC10 Q969S8 9/20 0.63
HDAC4 P56524 9/20 0.63
HDAC7 Q8WUI4 9/20 0.63
HDAC9 Q9UKV0 9/20 0.63
HDAC5 Q9UQL6 9/20 0.63
KDM4E B2RXH2 1/20 0.62
BRD4 O60885 1/20 0.62
NCOR1 O75376 1/20 0.62
NR1I2 O75469 1/20 0.62
EGFR P00533 1/20 0.62
CYP3A4 P08684 1/20 0.62
LTA4H P09960 1/20 0.62
NR0B1 P51843 1/20 0.62

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
SCHEMBL15480439 0.94 MEN1 (0.68) HDAC3HDAC8NCOR2HDAC1MEN1
SCHEMBL18660186 0.94 MEN1 (0.68) HDAC3HDAC8NCOR2HDAC1MEN1
SCHEMBL7700654 0.92 MEN1 (0.69) HDAC1MEN1ALDH1A1CYP2C9HPGD
SCHEMBL15480467 0.88 MEN1 (0.78) HDAC3HDAC8NCOR2MEN1ALDH1A1
SCHEMBL7774833 0.87 MEN1 (0.67) MEN1ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL7774657 0.87 MEN1 (0.67) MEN1ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL7776199 0.87 MEN1 (0.67) MEN1ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL8133836 0.87 MEN1 (0.60) HDAC3HDAC8NCOR2HDAC1HDAC2
SCHEMBL13298956 0.87 MEN1 (0.67) MEN1ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL31635263 0.85 HDAC1 (0.83) HDAC3HDAC8NCOR2HDAC1HDAC2

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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 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 (3 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC3 1/4885HDAC8 4/4885NCOR2 315/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC3 1/4885HDAC8 4/4885NCOR2 315/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC3 1/4885HDAC8 4/4885NCOR2 315/4885

“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.