SCHEMBL3439433

SCHEMBL3439433

CN(C)c1ccc(-c2cn(Cc3ccc(C(=O)NO)cc3)nn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.69
HDAC6 Q9UBN7 10/20 0.69
HDAC2 Q92769 8/20 0.69
HDAC3 O15379 7/20 0.69
SNCA P37840 1/20 0.59
CDC7 O00311 1/20 0.58
DAPK3 O43293 1/20 0.58
ROCK2 O75116 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
PRKACA P17612 1/20 0.58
CDK2 P24941 1/20 0.58
FLT3 P36888 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CLK2 P49760 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
PRKX P51817 1/20 0.58
JAK3 P52333 1/20 0.58
CDK5 Q00535 1/20 0.58

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
SCHEMBL1165015 0.89 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1165055 0.86 CD74 (0.60) SNCACDC7DAPK3ROCK2MAP4K4
SCHEMBL24755230 0.86 HDAC6 (0.75) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1165075 0.85 SNCA (0.80) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1165020 0.85 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1164730 0.85 HDAC6 (0.74) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1164962 0.84 HDAC6 (0.78) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1165105 0.84 HDAC1 (0.50) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL3439446 0.84 HDAC6 (0.54) HDAC1HDAC6HDAC2HDAC3SNCA
SCHEMBL1165557 0.83 HDAC6 (0.64) HDAC1HDAC6HDAC2HDAC3SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC6 8/4885HDAC2 4/4885

“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.