SCHEMBL13949974

SCHEMBL13949974

O=C(/C=C/c1ccc(CNCCc2c[nH]c3ncccc23)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 1.00
▸ HDAC6 Q9UBN7 12/20 0.73
▸ HDAC3 O15379 11/20 0.73
▸ HDAC4 P56524 11/20 0.73
▸ HDAC7 Q8WUI4 11/20 0.73
▸ HDAC2 Q92769 11/20 0.73
▸ HDAC8 Q9BY41 11/20 0.73
▸ HDAC9 Q9UKV0 11/20 0.73
▸ HDAC5 Q9UQL6 11/20 0.73
▸ HDAC10 Q969S8 10/20 0.73
▸ HDAC11 Q96DB2 10/20 0.73
▸ KCNH2 Q12809 2/20 0.73
▸ NAMPT P43490 1/20 0.56
▸ TET3 O43151 1/20 0.54
▸ BRD4 O60885 1/20 0.54
▸ FOXO1 Q12778 1/20 0.54
▸ TET2 Q6N021 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54
▸ TET1 Q8NFU7 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL16807371 0.84 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL309995 0.84 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL309994 0.84 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806971 0.83 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806782 0.82 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL23054938 0.82 HDAC1 (0.70) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806970 0.79 HDAC1 (0.67) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806835 0.79 HDAC1 (0.67) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8242401 0.78 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13949934 0.78 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7

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 7 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 — — US disclosed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 — — EP 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 (4 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 HDAC1 2/4885HDAC6 10/4885HDAC3 1/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC6 3/4885HDAC3 2/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 HDAC1 3/4885HDAC6 10/4885HDAC3 1/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC3 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.

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