SCHEMBL4259719

SCHEMBL4259719

Nc1ccccc1NC(=O)c1ccc(C=CC(=O)NCCc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.62
NAMPT P43490 1/20 0.52
GSK3B P49841 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
NCOR2 Q9Y618 2/20 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
SCHEMBL4259714 1.00 HDAC1 (0.62) HDAC1NAMPTGSK3BNPC1RAB9A
SCHEMBL2136124 0.84 HDAC1 (0.64) HDAC1HDAC3HDAC2
SCHEMBL2136117 0.84 HDAC1 (0.64) HDAC1HDAC3HDAC2
SCHEMBL4269528 0.82 HDAC1 (0.82) HDAC1NAMPTGSK3BHDAC3HDAC2
SCHEMBL4269526 0.82 HDAC1 (0.82) HDAC1NAMPTGSK3BHDAC3HDAC2
SCHEMBL2134266 0.82 RAB9A (0.58) HDAC1GSK3BNPC1RAB9AHDAC3
SCHEMBL2134277 0.82 RAB9A (0.58) HDAC1GSK3BNPC1RAB9AHDAC3
SCHEMBL7938250 0.80 RAB9A (0.56) HDAC1GSK3BNPC1RAB9AHDAC3
SCHEMBL4260735 0.80 SMN1; SMN2 (0.65) HDAC1NAMPTNPC1RAB9AHDAC3
SCHEMBL4260737 0.80 SMN1; SMN2 (0.65) HDAC1NAMPTNPC1RAB9AHDAC3

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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 HDAC1 1/4885NAMPT 214/4885GSK3B 348/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885NAMPT 351/4885GSK3B 3311/4885

“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.