SCHEMBL5126911

SCHEMBL5126911

CCC(=O)CCCCC[C@H](NC(=O)c1ccc2nccnc2c1)C(=O)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 10/20 0.43
HDAC4 P56524 4/20 0.41
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
POLB P06746 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
SCHEMBL5131479 0.81 SMN1; SMN2 (0.47) ALDH1A1HDAC1HDAC4HDAC6HDAC2
SCHEMBL27715247 0.79 HDAC1 (0.45) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL5121747 0.79 HDAC1 (0.45) HDAC1HDAC4HDAC6HDAC2HDAC3
SCHEMBL5124990 0.79 PADI4 (0.55) NPC1ALDH1A1RAB9AHDAC1PADI4
SCHEMBL5125402 0.79 HDAC1 (0.51) NPC1ALDH1A1RAB9AHDAC1HDAC4
SCHEMBL5125022 0.79 HDAC4 (0.52) NPC1ALDH1A1RAB9AHDAC1HDAC4
SCHEMBL5181315 0.79 PADI4 (0.55) NPC1ALDH1A1RAB9AHDAC1PADI4
SCHEMBL5130144 0.78 HDAC1 (0.59) NPC1ALDH1A1RAB9AHDAC1HDAC4
SCHEMBL5120687 0.77 PADI4 (0.45) NPC1ALDH1A1RAB9AHDAC1PADI4
SCHEMBL5124639 0.76 PADI4 (0.51) NPC1ALDH1A1RAB9AHDAC1PADI4

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 NPC1 2251/4885ALDH1A1 3068/4885RAB9A 3597/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 NPC1 2251/4885ALDH1A1 3068/4885RAB9A 3597/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 NPC1 881/4885ALDH1A1 286/4885RAB9A 2246/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 NPC1 2251/4885ALDH1A1 3068/4885RAB9A 3597/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 NPC1 2295/4885ALDH1A1 2984/4885RAB9A 3925/4885

“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.