SCHEMBL3028613

SCHEMBL3028613

O=C(NO)c1ccc(-c2cccc(C(=O)NCCc3c[nH]cn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC8 Q9BY41 6/20 0.48
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
KDM1A O60341 2/20 0.44
PARP1 P09874 1/20 0.44
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL17481130 0.85 HDAC2 (0.49) HDAC6HDAC1HDAC8CDK4CCND1
SCHEMBL3031929 0.83 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL21820359 0.82 RAB9A (0.46) HDAC6HDAC8HDAC2MAPT
SCHEMBL1300262 0.81 MAPT (0.52) HDAC6HDAC8HDAC2MAPT
SCHEMBL1299965 0.79 KMT2A (0.47) HDAC6HDAC8HDAC2MAPT
SCHEMBL5943847 0.78 HDAC8 (0.78) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL5944189 0.77 HDAC8 (0.62) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4790791 0.76 PRKCI (0.57) CDK4CCND1
SCHEMBL13211909 0.76 NPC1 (0.56) CDK4CCND1
SCHEMBL1300384 0.76 NPC1 (0.52) MAPT

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 1 patent. 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

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 31/4885HDAC1 5/4885HDAC8 7/4885

“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.