SCHEMBL4580962

SCHEMBL4580962

Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(N2CC[C@H](N)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.59
HDAC1 Q13547 9/20 0.58
HDAC3 O15379 6/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C18 P33260 2/20 0.56
CYP2C19 P33261 2/20 0.56
KCNH2 Q12809 2/20 0.56
ITK Q08881 2/20 0.50
AURKA O14965 2/20 0.49
TTK P33981 2/20 0.49
AURKB Q96GD4 2/20 0.49
INCENP Q9NQS7 2/20 0.49
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
WDR5 P61964 1/20 0.48

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
SCHEMBL4580967 1.00 HDAC2 (0.59) HDAC2HDAC1HDAC3CYP1A2CYP2C18
SCHEMBL4580625 0.90 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578242 0.90 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4578247 0.90 HDAC1 (0.61) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4579194 0.89 HDAC2 (0.58) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4579297 0.89 HDAC2 (0.58) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4579191 0.89 HDAC2 (0.58) HDAC2HDAC1HDAC3KCNH2
SCHEMBL8229061 0.89 HDAC2 (0.48) HDAC2HDAC1HDAC3CYP1A2CYP2C18
SCHEMBL4577843 0.87 HDAC1 (0.59) HDAC2HDAC1HDAC3CYP1A2CYP2C18
SCHEMBL4580000 0.86 HDAC1 (0.60) HDAC2HDAC1HDAC3CYP1A2CYP2C18

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN claimed
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN disclosed
CN-101466670-A Benzamide derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-24 CN disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC2 5/4885HDAC1 1/4885HDAC3 3/4885

“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.