Sugi Predict

Sugi Predict / Compounds / SCHEMBL5127239

SCHEMBL5127239

SCHEMBL5127239

CCC(=O)CCCCC[C@H](NC(=O)c1ncc[nH]1)C(=O)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC3 O15379 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.36
▸ PADI2 Q9Y2J8 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL5121951 0.84 RAB9A (0.46) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL5123829 0.83 TP53 (0.48) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL27715265 0.83 ROCK2 (0.49) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL5129796 0.83 ROCK2 (0.49) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL5124639 0.83 PADI4 (0.51) HPGDNPC1RAB9AHDAC1CAPN1
SCHEMBL5130351 0.82 TP53 (0.48) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL5117437 0.81 NPC1 (0.46) HPGDNPC1RAB9AHDAC1MAPT
SCHEMBL5130154 0.81 NPC1 (0.46) HPGDNPC1RAB9AHDAC1KLKB1
SCHEMBL5240614 0.81 RAB9A (0.45) HPGDNPC1RAB9AHDAC1HDAC3
SCHEMBL5118770 0.81 RAB9A (0.45) HPGDNPC1RAB9AHDAC1HDAC3

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 5 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-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 (2 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 HPGD 1305/4885NPC1 2251/4885RAB9A 3597/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 HPGD 475/4885NPC1 881/4885RAB9A 2246/4885

“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.