SCHEMBL3037037

SCHEMBL3037037

COc1cccc(CNC(=O)c2cccc(-c3cccc(C(=O)NO)c3)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.78
AURKA O14965 1/20 0.77
HPGD P15428 2/20 0.73
LMNA P02545 1/20 0.73
ROCK2 O75116 2/20 0.66
HDAC1 Q13547 1/20 0.64
PRKACA P17612 2/20 0.62
PRKX P51817 2/20 0.62
PRKCQ Q04759 2/20 0.62
ROCK1 Q13464 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
HDAC8 Q9BY41 2/20 0.61
CHRM3 P20309 1/20 0.61
MAPT P10636 1/20 0.60
HDAC2 Q92769 1/20 0.59

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
SCHEMBL3036981 0.91 AURKA (0.64) MMP13AURKAHPGDLMNAROCK2
SCHEMBL3035661 0.89 MMP13 (0.76) MMP13AURKAHPGDLMNAROCK2
SCHEMBL5332068 0.88 MMP13 (1.00) MMP13AURKAHPGDLMNAROCK2
SCHEMBL31061610 0.88 MMP13 (1.00) MMP13AURKAHPGDLMNAROCK2
SCHEMBL9416645 0.88 MMP13 (0.94) MMP13AURKAHPGDLMNAROCK2
SCHEMBL3038715 0.86 MMP13 (0.72) MMP13AURKAHPGDLMNAROCK2
SCHEMBL12496869 0.85 AURKA (0.72) MMP13AURKAHPGDLMNAROCK2
SCHEMBL16297611 0.85 MMP13 (0.69) MMP13HPGDLMNAROCK2HDAC1
SCHEMBL7134254 0.84 MMP13 (0.86) MMP13AURKAHPGDLMNAROCK2
SCHEMBL5332456 0.83 MMP13 (0.89) MMP13AURKAHPGDLMNAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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 (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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 MMP13 1790/4885AURKA 2957/4885HPGD 188/4885

“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.