SCHEMBL15480439

SCHEMBL15480439

O=C(CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 2/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC3 O15379 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
HDAC1 Q13547 1/20 0.56
HSP90AA1 P07900 1/20 0.56

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
SCHEMBL18660186 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7700654 0.98 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL15480467 0.94 MEN1 (0.78) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL15480404 0.94 HDAC3 (0.65) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7774833 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7774657 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL13298956 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL8133836 0.92 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL7776199 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDCYP2C9
SCHEMBL16322460 0.91 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDCYP2C9

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 MEN1 4342/4885KMT2A 223/4885ALDH1A1 3068/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 MEN1 4342/4885KMT2A 223/4885ALDH1A1 3068/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 MEN1 4342/4885KMT2A 223/4885ALDH1A1 3068/4885

“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.