SCHEMBL3028150

SCHEMBL3028150

O=C(NO)c1ccc2ccc(C(=O)NCCc3ccc(F)cc3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
HDAC6 Q9UBN7 5/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
MCHR1 Q99705 2/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 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
SCHEMBL3034071 0.96 NPC1 (0.61) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL4153362 0.88 NPC1 (0.69) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3038811 0.86 NPC1 (0.62) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3024525 0.86 HDAC6 (0.72) HDAC6HDAC2HDAC8HDAC1HDAC3
SCHEMBL3018217 0.86 HDAC6 (0.60) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL2412199 0.85 HDAC1 (0.75) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3032447 0.85 MCHR1 (0.71) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3037525 0.83 HDAC6 (0.60) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3035750 0.83 MAPT (0.61) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL3028189 0.82 NPC1 (0.63) 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.