SCHEMBL13437352

SCHEMBL13437352

CC(C)Cc1sc(-c2nccs2)nc1CNC(=O)c1nc(-c2nccs2)sc1CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.68
HDAC3 O15379 18/20 0.68
HDAC6 Q9UBN7 16/20 0.67
HDAC4 P56524 2/20 0.66

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
SCHEMBL13557935 0.93 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC4
SCHEMBL13898504 0.91 HDAC1 (0.60) HDAC1HDAC3HDAC6HDAC4
SCHEMBL13453773 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC4
SCHEMBL13297079 0.86 HDAC1 (0.64) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580291 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC4
SCHEMBL19114229 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC4
SCHEMBL13297082 0.85 HDAC1 (0.68) HDAC1HDAC3HDAC6HDAC4
SCHEMBL13437343 0.84 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC4
SCHEMBL19114176 0.84 HDAC1 (0.66) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580284 0.83 HDAC6 (0.78) HDAC1HDAC3HDAC6HDAC4

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-2030974-B1 THIAZOLE NON-NUCLEOSIDE COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND THEIR USE AS ANTIVIRAL AGENTS SHANGHAI INST MATERIA MEDICA (CN) 2016-02-17 EP disclosed
US-8653115-B2 Heterocyclic non-nucleoside compounds, their preparation, pharmaceutical composition and their use as antiviral agents SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-18 US disclosed
US-8653115-B2 Heterocyclic non-nucleoside compounds, their preparation, pharmaceutical composition and their use as antiviral agents SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-18 US disclosed
US-20120264793-A1 Pharmaceutical Use of 2',2-Bis-Thiazole Non-Nucleoside Compounds as Hepatitis C Virus Inhibitor SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-10-18 US disclosed
US-20100056569-A1 Heterocyclic Non-Nucleoside Compounds, Their Preparation, Pharmaceutical Composition And Their Use As Antiviral Agents SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-03-04 US disclosed
US-20100056569-A1 Heterocyclic Non-Nucleoside Compounds, Their Preparation, Pharmaceutical Composition And Their Use As Antiviral Agents SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-03-04 US disclosed
EP-2030974-A1 HETEROCYCLIC NON-NUCLEOSIDE COMPOUNDS, THEIR PEPARATION, PHARMACEUTICAL COMPOSITION AND THEIR USE AS ANTIVIRAL AGENTS Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2009-03-04 EP 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-20100056569-A1 Heterocyclic Non-Nucleoside Compounds, Their Preparation, Pharmaceutical Composition And Their Use As Antiviral Agents TYMP, PNP, NUDT1 HDAC1 598/4885HDAC3 977/4885HDAC6 1321/4885
US-20120264793-A1 Pharmaceutical Use of 2',2-Bis-Thiazole Non-Nucleoside Compounds as Hepatitis C Virus Inhibitor HAVCR2, SLC29A2, SLC10A1 HDAC1 3057/4885HDAC3 3543/4885HDAC6 1345/4885

“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.