SCHEMBL3028795

SCHEMBL3028795

O=C(NO)c1ccc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.72
HDAC3 O15379 4/20 0.72
HDAC8 Q9BY41 4/20 0.72
PTGS1 P23219 3/20 0.60
TRPV1 Q8NER1 3/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
ENPP3 O14638 1/20 0.59
ENPP1 P22413 1/20 0.59
RORC P51449 1/20 0.58
HDAC11 Q96DB2 2/20 0.57
MAPT P10636 1/20 0.57
XBP1 P17861 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ESR1 P03372 1/20 0.56
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL674439 0.89 HDAC6 (0.82) HDAC6HDAC3HDAC8PTGS1TRPV1
SCHEMBL3036039 0.85 MAPT (0.70) HDAC6HDAC3HDAC8PTGS1NPC1
SCHEMBL3036973 0.84 MEN1 (0.61) HDAC6HDAC3HDAC8NPC1RAB9A
SCHEMBL7513604 0.83 TRPV1 (0.83) HDAC6HDAC3HDAC8PTGS1TRPV1
SCHEMBL3028810 0.81 HDAC8 (0.67) HDAC6HDAC8NPC1RAB9AMAPT
SCHEMBL3034522 0.81 MAPT (0.72) HDAC6HDAC3HDAC8PTGS1NPC1
SCHEMBL3031316 0.80 HDAC2 (0.74) HDAC6HDAC8NPC1RAB9AMEN1
SCHEMBL3036033 0.80 HDAC3 (0.59) HDAC6HDAC3HDAC8NPC1RAB9A
SCHEMBL14880225 0.79 CES2 (0.64) HDAC6HDAC3HDAC8PTGS1TRPV1
SCHEMBL3024518 0.79 MEN1 (0.63) HDAC6HDAC3HDAC8NPC1RAB9A

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 4 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
EP-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO 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 31/4885HDAC3 8/4885HDAC8 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.