SCHEMBL8246835

SCHEMBL8246835

COc1cccc(N2CCN(Cc3ccc(/C=C/C(=O)NO)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HDAC1 Q13547 10/20 0.59
▸ HDAC3 O15379 8/20 0.59
▸ HDAC2 Q92769 8/20 0.59
▸ HDAC8 Q9BY41 8/20 0.59
▸ MAPT P10636 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ HDAC6 Q9UBN7 6/20 0.56
▸ HDAC4 P56524 6/20 0.56
▸ HDAC7 Q8WUI4 5/20 0.56
▸ HDAC10 Q969S8 5/20 0.56
▸ HDAC11 Q96DB2 5/20 0.56
▸ HDAC9 Q9UKV0 5/20 0.56
▸ HDAC5 Q9UQL6 5/20 0.56
▸ LMNA P02545 1/20 0.54
▸ BCHE P06276 1/20 0.52

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
SCHEMBL8245260 0.89 HDAC1 (0.61) KDM4EHDAC1HDAC3HDAC2HDAC8
SCHEMBL13949968 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL23055100 0.81 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1HDAC1HDAC3
SCHEMBL1374685 0.80 HDAC1 (0.74) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL1374684 0.80 HDAC1 (0.74) SMN1; SMN2ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL13949927 0.80 DRD2 (0.67) HDAC1HDAC3HDAC2HDAC8MAPT
SCHEMBL8744966 0.79 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL724056 0.78 HDAC1 (0.69) SMN1; SMN2HDAC1HDAC3HDAC2HDAC8
SCHEMBL1486886 0.78 HDAC1 (0.69) SMN1; SMN2HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL8745027 0.78 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1MAPTTSHR

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 10 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
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
WO-2007021682-A1 METHOD OF USE OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-02-22 — — 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 (5 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 KDM4E 330/4885SMN1; SMN2 2901/4885ALDH1A1 3068/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 KDM4E 330/4885SMN1; SMN2 2901/4885ALDH1A1 3068/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 KDM4E 317/4885SMN1; SMN2 3167/4885ALDH1A1 812/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 KDM4E 413/4885SMN1; SMN2 3303/4885ALDH1A1 1042/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 KDM4E 330/4885SMN1; SMN2 2901/4885ALDH1A1 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.

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