SCHEMBL4580386

SCHEMBL4580386

Nc1ccc(-c2ccncc2)cc1NC(=O)c1cc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.65
HDAC1 Q13547 6/20 0.65
NPC1 O15118 9/20 0.64
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.64
RAB9A P51151 8/20 0.55
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
HDAC3 O15379 4/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL15653761 0.82 HDAC2 (0.66) HDAC2HDAC1NPC1RAB9ATP53
SCHEMBL4579321 0.82 HDAC2 (0.54) HDAC2HDAC1NPC1TSHRRAB9A
SCHEMBL1067561 0.82 HDAC2 (0.77) HDAC2HDAC1HDAC3
SCHEMBL21788606 0.80 HDAC2 (0.73) HDAC2HDAC1NPC1RAB9ATP53
SCHEMBL29013034 0.79 NPC1 (1.00) NPC1TSHRLMNARAB9ATP53
SCHEMBL30398266 0.79 NPC1 (1.00) NPC1TSHRLMNARAB9ATP53
SCHEMBL15685093 0.78 HDAC2 (0.77) HDAC2HDAC1HDAC3
SCHEMBL2270361 0.77 RAB9A (0.59) HDAC2HDAC1NPC1TSHRRAB9A
SCHEMBL4581065 0.77 PAICS (0.53) HDAC2HDAC1HDAC3
SCHEMBL4581368 0.76 HDAC2 (0.53) HDAC2HDAC1HDAC3

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-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
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP 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
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC2 5/4885HDAC1 1/4885NPC1 1197/4885

“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.