SCHEMBL3033893

SCHEMBL3033893

O=C(NO)c1cccc(-c2cccc(C(=O)NCc3cccc(F)c3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC2 Q92769 3/20 0.63
AURKA O14965 2/20 0.62
HDAC1 Q13547 4/20 0.60
CHRM3 P20309 1/20 0.58
CFD P00746 1/20 0.56
EPHX2 P34913 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
SENP1 Q9P0U3 2/20 0.53
SRC P12931 1/20 0.52
KDM1A O60341 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 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
SCHEMBL3035255 0.90 AURKA (0.74) HDAC6HDAC8HDAC2AURKAHDAC1
SCHEMBL3030331 0.88 HDAC6 (0.63) HDAC6HDAC8HDAC2HDAC1SRC
SCHEMBL5338226 0.87 HPGD (0.63) HDAC6HDAC8HDAC2AURKACHRM3
SCHEMBL3038051 0.86 HDAC6 (0.65) HDAC6HDAC8HDAC2HDAC1NR1H4
SCHEMBL3031649 0.86 HDAC8 (0.85) HDAC6HDAC8HDAC2HDAC1CFD
SCHEMBL3036092 0.85 HDAC6 (0.64) HDAC6HDAC8HDAC2HDAC1NR1H4
SCHEMBL3026463 0.85 HDAC6 (0.58) HDAC6HDAC8HDAC2AURKAHDAC1
SCHEMBL3031610 0.84 HDAC6 (0.63) HDAC6HDAC8HDAC2HDAC1CHRM3
SCHEMBL16404767 0.83 HDAC1 (0.70) HDAC6HDAC8HDAC2HDAC1HPGD
SCHEMBL3035143 0.83 AURKA (0.61) HDAC6HDAC8HDAC2AURKAHDAC1

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 HDAC6 31/4885HDAC8 7/4885HDAC2 4/4885

“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.