SCHEMBL3036351

SCHEMBL3036351

COc1ccc(NC(=O)c2ccc3ccc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.79
RAB9A P51151 8/20 0.79
CASP3 P42574 1/20 0.79
SENP7 Q9BQF6 1/20 0.79
PLAU P00749 5/20 0.72
HDAC8 Q9BY41 3/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
TP53 P04637 3/20 0.67
ALOX15 P16050 1/20 0.67
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PLG P00747 1/20 0.61
PLAT P00750 1/20 0.61
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
MAPT P10636 1/20 0.58
GAA P10253 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57

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
SCHEMBL3788361 0.88 NPC1 (1.00) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL674669 0.88 NPC1 (0.86) NPC1RAB9ACASP3SENP7HDAC8
SCHEMBL3454483 0.87 NPC1 (0.77) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL15031541 0.84 NPC1 (0.76) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL10839189 0.83 CA1 (0.70) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL15580882 0.83 NPC1 (0.74) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL5016280 0.82 PLAU (0.75) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL3035716 0.82 PLAU (0.74) NPC1RAB9APLAUSMN1; SMN2TP53
SCHEMBL6799157 0.81 RAB9A (1.00) NPC1RAB9ACASP3SENP7PLAU
SCHEMBL3036973 0.81 MEN1 (0.61) NPC1RAB9ACASP3SENP7HDAC8

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 4531/4885CASP3 38/4885

“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.