SCHEMBL3033609

SCHEMBL3033609

O=C(NO)c1ccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.69
RAB9A P51151 11/20 0.69
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 1/20 0.66
MAOB P27338 7/20 0.65
PKM P14618 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
TP53 P04637 2/20 0.64
PLAU P00749 1/20 0.64
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
GAA P10253 1/20 0.62

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
SCHEMBL4468814 0.90 NPC1 (0.78) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30926503 0.85 RAB9A (0.85) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27181112 0.85 RAB9A (0.85) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3033853 0.84 NPC1 (0.78) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL29283484 0.84 KMT2A (0.73) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5171565 0.82 RAB9A (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13561178 0.81 NPC1 (0.76) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL21780052 0.80 RAB9A (0.76) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5173449 0.79 RAB9A (0.74) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL108116 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2APOLB

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 4531/4885MEN1 2346/4885

“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.