SCHEMBL5123458

SCHEMBL5123458

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CTSK P43235 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.39
SHMT1 P34896 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5130351 0.89 TP53 (0.48) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5117437 0.88 NPC1 (0.46) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5121951 0.87 RAB9A (0.46) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5118770 0.87 RAB9A (0.45) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5240614 0.87 RAB9A (0.45) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5131334 0.86 NPC1 (0.44) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5117937 0.86 HPGD (0.45) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5130154 0.85 NPC1 (0.46) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL5127204 0.83 HDAC1 (0.45) RAB9ANPC1HPGDHDAC1LMNA
SCHEMBL5203922 0.82 NPC1 (0.41) RAB9ANPC1HPGDHDAC1TP53

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 RAB9A 3597/4885NPC1 2251/4885CTSK 253/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 RAB9A 3597/4885NPC1 2251/4885CTSK 253/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 RAB9A 2246/4885NPC1 881/4885CTSK 897/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 RAB9A 3597/4885NPC1 2251/4885CTSK 253/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 RAB9A 3925/4885NPC1 2295/4885CTSK 280/4885

“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.