SCHEMBL3034370

SCHEMBL3034370

O=C(NO)c1ccc2cc(C(=O)NCCc3cccc(Br)c3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HDAC6 Q9UBN7 8/20 0.63
HDAC2 Q92769 7/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.51
DRD4 P21917 1/20 0.49
CNR1 P21554 1/20 0.49
PARP1 P09874 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL3026600 0.87 NPC1 (0.69) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3024387 0.86 HDAC6 (0.67) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3454460 0.86 HDAC2 (0.80) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3033993 0.86 HDAC6 (0.61) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3032709 0.86 HDAC1 (0.64) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3037525 0.85 HDAC6 (0.60) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3028595 0.83 NAMPT (0.58) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL3018217 0.82 HDAC6 (0.60) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3036988 0.82 HDAC1 (0.62) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL19454201 0.81 NPC1 (0.69) NPC1RAB9AHDAC6HDAC2HDAC8

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 NPC1 2497/4885RAB9A 4531/4885HDAC6 31/4885

“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.