Sugi Predict

Sugi Predict / Compounds / SCHEMBL8075188

SCHEMBL8075188

SCHEMBL8075188

CC(C)(C)OC(=O)Nc1ccc(Cl)nc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.61
▸ HDAC3 O15379 10/20 0.61
▸ HDAC2 Q92769 10/20 0.61
▸ HDAC8 Q9BY41 9/20 0.61
▸ HDAC4 P56524 8/20 0.61
▸ HDAC7 Q8WUI4 8/20 0.61
▸ HDAC10 Q969S8 8/20 0.61
▸ HDAC11 Q96DB2 8/20 0.61
▸ HDAC6 Q9UBN7 8/20 0.61
▸ HDAC9 Q9UKV0 8/20 0.61
▸ HDAC5 Q9UQL6 8/20 0.61
▸ KDM1A O60341 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ F3 P13726 1/20 0.58
▸ NCOR2 Q9Y618 1/20 0.58
▸ NAMPT P43490 2/20 0.58
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL8068427 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL1435252 0.87 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2411739 0.83 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3765663 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3646356 0.82 NAMPT (0.48) HDAC1HDAC10HDAC6NAMPT
SCHEMBL8113197 0.82 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8082841 0.80 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2414155 0.80 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2993001 0.80 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3642910 0.80 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170339-B1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2014-10-15 — — EP disclosed
EP-2170339-B1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2014-10-15 — — EP disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 — — US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 — — US disclosed
WO-2009005638-A2 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-01-08 — — 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 (1 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-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC5, HDAC1 HDAC1 3/4885HDAC3 5/4885HDAC2 7/4885

“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.