SCHEMBL20364280

SCHEMBL20364280

Cc1ccc(-c2cnc(N)c(NC(=O)N3CC4CCCC4C3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 16/20 0.80
HDAC1 Q13547 9/20 0.80
GSK3B P49841 3/20 0.52
MAP4K4 O95819 1/20 0.42

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
SCHEMBL18376433 0.89 HDAC2 (1.00) HDAC2HDAC1GSK3B
SCHEMBL13739161 0.74 HDAC2 (0.70) HDAC2HDAC1
SCHEMBL18079544 0.74 HDAC2 (0.55) HDAC2HDAC1
SCHEMBL18376432 0.73 HDAC2 (0.71) HDAC2HDAC1
SCHEMBL18079545 0.73 HDAC2 (0.66) HDAC2HDAC1
SCHEMBL13833449 0.73 HDAC2 (0.78) HDAC2HDAC1
SCHEMBL21480711 0.70 HDAC2 (0.49) HDAC2HDAC1
SCHEMBL19860009 0.69 HDAC2 (0.58) HDAC2HDAC1
SCHEMBL13833393 0.69 HDAC2 (0.65) HDAC2HDAC1
SCHEMBL20343601 0.65 JAK1 (0.52) HDAC2HDAC1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 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 (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-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HDAC2 1/4885HDAC1 2/4885GSK3B 755/4885

“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.