SCHEMBL3033717

SCHEMBL3033717

O=C(NO)c1ccc2cc(C(=O)NCc3ccc4c(c3)CCO4)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
HDAC10 Q969S8 1/20 0.57
EGLN1 Q9GZT9 1/20 0.56
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
CHRM4 P08173 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSP90AA1 P07900 1/20 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
SCHEMBL6193923 0.83 RAB9A (0.62) RAB9AEGLN1ALDH1A1NPC1POLB
SCHEMBL13149469 0.82 RAB9A (0.78) RAB9AEGLN1ALDH1A1NPC1POLB
SCHEMBL5615905 0.81 RAB9A (0.58) RAB9AHDAC1HDAC8HDAC6HDAC3
SCHEMBL6193523 0.81 RAB9A (0.57) RAB9AEGLN1ALDH1A1NPC1POLB
SCHEMBL5405650 0.81 MAOB (0.66) RAB9AHDAC1HDAC8HDAC6HDAC3
SCHEMBL6843097 0.80 RAB9A (0.58) RAB9AEGLN1ALDH1A1NPC1POLB
SCHEMBL6217032 0.78 RAB9A (0.54) RAB9AEGLN1ALDH1A1NPC1POLB
SCHEMBL20051405 0.77 RAB9A (0.66) RAB9AHDAC1HDAC8HDAC6HDAC3
SCHEMBL3620383 0.77 RAB9A (0.70) RAB9AHDAC1HDAC8HDAC6HDAC3
SCHEMBL6192848 0.77 RAB9A (0.57) RAB9AEGLN1ALDH1A1NPC1POLB

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 RAB9A 4531/4885HDAC1 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.