SCHEMBL1064675

SCHEMBL1064675

Nc1ccccc1NC(=O)c1ccc(C(N)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.61
PTGS2 P35354 1/20 0.60
HDAC2 Q92769 7/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
PKM P14618 2/20 0.57
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HDAC3 O15379 6/20 0.50
NCOR2 Q9Y618 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 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
SCHEMBL212651 0.78 HDAC1 (0.57) HDAC1HDAC2MAPK1HDAC3NCOR2
SCHEMBL1064676 0.77 HDAC1 (0.71) HDAC1PTGS2HDAC2NPC1RAB9A
SCHEMBL2108665 0.76 HDAC1 (1.00) HDAC1HDAC2NPC1RAB9AHDAC3
SCHEMBL211197 0.76 HDAC1 (0.59) HDAC1PTGS2HDAC2NPC1RAB9A
SCHEMBL211754 0.76 HDAC1 (0.73) HDAC1HDAC2NPC1RAB9AMAPK1
SCHEMBL27900969 0.76 HDAC1 (0.64) HDAC1HDAC2MAPK1HDAC3NCOR2
SCHEMBL8401704 0.74 HDAC1 (0.89) HDAC1HDAC2NPC1RAB9AMAPK1
SCHEMBL27406949 0.73 HDAC1 (0.69) HDAC1HDAC2MAPK1HDAC3NCOR2
SCHEMBL1064065 0.73 HDAC1 (0.60) HDAC1HDAC2MAPK1HDAC3NCOR2
SCHEMBL28402288 0.73 HDAC1 (1.00) HDAC1HDAC2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 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 (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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885PTGS2 2854/4885HDAC2 5/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885PTGS2 2854/4885HDAC2 5/4885

“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.