SCHEMBL3035429

SCHEMBL3035429

COc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)NO)cc3)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.82
NPC1 O15118 7/20 0.76
RAB9A P51151 7/20 0.76
ALDH1A1 P00352 4/20 0.76
TP53 P04637 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KMT2A Q03164 2/20 0.76
PKM P14618 1/20 0.76
NLRP3 Q96P20 1/20 0.72
RXFP1 Q9HBX9 1/20 0.69
ADORA3 P0DMS8 1/20 0.65
KCNK9 Q9NPC2 2/20 0.64
KCNK3 O14649 1/20 0.64
PARP1 P09874 1/20 0.64
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL4253111 0.90 TRPV1 (1.00) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL10055020 0.90 NPC1 (0.94) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL5943974 0.90 TRPV1 (0.70) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL5944083 0.89 ADORA3 (0.82) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL3035716 0.89 PLAU (0.74) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL3025464 0.88 RXFP1 (0.76) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL4256368 0.87 NPC1 (1.00) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL4248632 0.86 RAB9A (0.81) TRPV1NPC1RAB9AALDH1A1TP53
SCHEMBL5944122 0.85 TRPV1 (0.63) TRPV1KMT2AADORA3MEN1POLB
SCHEMBL14490973 0.84 KCNK9 (0.76) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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 TRPV1 1079/4885NPC1 2497/4885RAB9A 4531/4885

“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.