SCHEMBL4265144

SCHEMBL4265144

O=C(O)Nc1ccccc1NC(=O)c1ccc(/C=C/C(=O)NCCc2cccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.66
GSK3B P49841 1/20 0.57
POLB P06746 2/20 0.54
NAMPT P43490 4/20 0.54
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 2/20 0.51
NLRP3 Q96P20 1/20 0.51
KMT2A Q03164 2/20 0.48
PTAFR P25105 1/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47

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
SCHEMBL4265151 1.00 HDAC1 (0.66) HDAC1GSK3BPOLBNAMPTMMP1
SCHEMBL4269526 0.89 HDAC1 (0.82) HDAC1GSK3BPOLBNAMPTHDAC3
SCHEMBL4269528 0.89 HDAC1 (0.82) HDAC1GSK3BPOLBNAMPTHDAC3
SCHEMBL4255532 0.79 HDAC1 (1.00) HDAC1POLBNAMPTMAPTTHRB
SCHEMBL4255531 0.79 HDAC1 (1.00) HDAC1POLBNAMPTMAPTTHRB
SCHEMBL4265161 0.74 HDAC1 (0.48) HDAC1NAMPTKMT2ASMN1; SMN2
SCHEMBL4662136 0.73 RAB9A (0.83) NAMPTMAPTKMT2APTAFRMEN1
SCHEMBL16473431 0.72 MMP1 (1.00) POLBMMP1MMP2MMP9RECQL
SCHEMBL28891887 0.72 MMP1 (1.00) POLBMMP1MMP2MMP9RECQL
SCHEMBL6233942 0.72 MMP1 (1.00) POLBMMP1MMP2MMP9RECQL

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 1/4885GSK3B 348/4885POLB 281/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885GSK3B 3311/4885POLB 599/4885

“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.