SCHEMBL5130144

SCHEMBL5130144

CCC(=O)CCCCC[C@H](NC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.59
HDAC4 P56524 5/20 0.48
MEF2D Q14814 1/20 0.48
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PADI2 Q9Y2J8 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AHR P35869 1/20 0.42
CCKBR P32239 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41

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
SCHEMBL5125402 0.87 HDAC1 (0.51) HDAC1HDAC4MEF2DRAB9AMAPT
SCHEMBL5125022 0.85 HDAC4 (0.52) HDAC1HDAC4MEF2DRAB9AMAPT
SCHEMBL5127016 0.84 HDAC1 (0.57) HDAC1HDAC4MEF2DRAB9AMAPT
SCHEMBL27695282 0.82 HDAC1 (0.50) HDAC1HDAC4MEF2DRAB9ASMN1; SMN2
SCHEMBL5127522 0.82 HDAC1 (0.50) HDAC1HDAC4MEF2DRAB9ASMN1; SMN2
SCHEMBL5120884 0.82 HDAC1 (0.51) HDAC1HDAC4MEF2DRAB9ASMN1; SMN2
SCHEMBL5127198 0.81 NPC1 (0.49) HDAC1HDAC4MEF2DRAB9AMAPT
SCHEMBL5181315 0.80 PADI4 (0.55) HDAC1RAB9APADI4PADI2NPC1
SCHEMBL5124990 0.80 PADI4 (0.55) HDAC1RAB9APADI4PADI2NPC1
SCHEMBL5127972 0.79 RAB9A (0.49) HDAC1HDAC4MEF2DRAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US claimed
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 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 (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 HDAC1 2/4885HDAC4 7/4885MEF2D 952/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC4 7/4885MEF2D 952/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC4 3/4885MEF2D 2147/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC4 7/4885MEF2D 952/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 HDAC1 3/4885HDAC4 7/4885MEF2D 712/4885

“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.