SCHEMBL5118072

SCHEMBL5118072

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HDAC1 Q13547 10/20 0.45
HDAC4 P56524 5/20 0.44
MEF2D Q14814 3/20 0.44
HDAC2 Q92769 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
EPHX1 P07099 2/20 0.40

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
SCHEMBL5127198 0.87 NPC1 (0.49) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5124578 0.86 HDAC1 (0.50) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5127972 0.86 RAB9A (0.49) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5121060 0.85 RAB9A (0.48) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL12488274 0.85 RAB9A (0.48) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5121771 0.84 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5125020 0.84 ALDH1A1 (0.59) SMN1; SMN2HDAC1HDAC4MEF2DHDAC2
SCHEMBL5117693 0.83 HDAC1 (0.53) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL27715209 0.83 RAB9A (0.42) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5119645 0.82 HDAC1 (0.54) RAB9ASMN1; SMN2NPC1LMNAHDAC1

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 3597/4885SMN1; SMN2 2901/4885NPC1 2251/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 RAB9A 3597/4885SMN1; SMN2 2901/4885NPC1 2251/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 RAB9A 2246/4885SMN1; SMN2 1329/4885NPC1 881/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 RAB9A 3597/4885SMN1; SMN2 2901/4885NPC1 2251/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 RAB9A 3925/4885SMN1; SMN2 3053/4885NPC1 2295/4885

“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.