Sugi Predict

Sugi Predict / Compounds / SCHEMBL3776220

SCHEMBL3776220

SCHEMBL3776220

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ GSTO1 P78417 1/20 0.37
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MAP2K3 P46734 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LDHA P00338 1/20 0.34
▸ DUSP10 Q9Y6W6 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL3783231 0.95 ALDH1A1 (0.37) ALDH1A1PAX8GSTO1CKS1BSKP1
SCHEMBL3765660 0.80 KMT2A (0.40) PAX8MEN1KMT2ALMNANPC1
SCHEMBL3645169 0.80 ALDH1A1 (0.42) ALDH1A1MAP2K3MEN1KMT2AKDM4E
SCHEMBL3773631 0.76 MAP2K3 (0.47) ALDH1A1PAX8GSTO1ADORA1MAP2K3
SCHEMBL17133463 0.74 CKS1B (0.41) ALDH1A1PAX8CKS1BSKP1SKP2
SCHEMBL3776749 0.73 PAX8 (0.35) ALDH1A1PAX8GSTO1MEN1KMT2A
SCHEMBL30964649 0.72 SYK (0.34) PAX8KMT2ALMNA
SCHEMBL17133441 0.72 KMT2A (0.36) ALDH1A1PAX8GSTO1CKS1BSKP1
SCHEMBL29850533 0.71 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL12367233 0.71 STK17B (0.40) KMT2ALMNA

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 10 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
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-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
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — 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 (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-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 1890/4885PAX8 3521/4885GSTO1 4227/4885
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC5, HDAC1 ALDH1A1 966/4885PAX8 1507/4885GSTO1 2969/4885

“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.