SCHEMBL5123829

SCHEMBL5123829

CCC(=O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEF2D Q14814 1/20 0.42
LMNA P02545 2/20 0.41
ECE1 P42892 1/20 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
SCHEMBL27715265 0.87 ROCK2 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5129796 0.87 ROCK2 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5121951 0.85 RAB9A (0.46) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5130154 0.85 NPC1 (0.46) TP53MAPTHDAC1RAB9ANPC1
SCHEMBL5124639 0.85 PADI4 (0.51) HDAC1RAB9ANPC1ALDH1A1ROCK2
SCHEMBL5131334 0.84 NPC1 (0.44) TP53MAPTHDAC1RAB9ANPC1
SCHEMBL5127239 0.83 HPGD (0.42) MAPTHDAC1HDAC3HDAC2HDAC8
SCHEMBL5130351 0.83 TP53 (0.48) TP53HDAC1HDAC3HDAC2HDAC8
SCHEMBL5117437 0.82 NPC1 (0.46) TP53MAPTHDAC1RAB9ANPC1
SCHEMBL5240614 0.81 RAB9A (0.45) TP53MAPTHDAC1HDAC3HDAC2

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 8 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
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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 TP53 3436/4885MAPT 960/4885HDAC1 2/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 TP53 3436/4885MAPT 960/4885HDAC1 2/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 TP53 1016/4885MAPT 683/4885HDAC1 1/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 TP53 3436/4885MAPT 960/4885HDAC1 2/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 TP53 3620/4885MAPT 735/4885HDAC1 3/4885

“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.