SCHEMBL5584124

SCHEMBL5584124

O=C(Nc1ccccc1C(=O)NOCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
ALOX5 P09917 3/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
PTGS2 P35354 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.50
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1083061 0.78 RAB9A (0.74) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL7945840 0.78 RAB9A (0.70) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL1715458 0.77 POLB (0.60) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL28317903 0.76 RAB9A (0.67) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL17109793 0.75 ALDH1A1 (0.88) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL28328243 0.75 MEN1 (0.70) NPC1ALOX5ALDH1A1MEN1KMT2A
SCHEMBL8334964 0.75 ALOX5 (0.70) NPC1RAB9AALOX5ALDH1A1MAPT
SCHEMBL7954413 0.73 NPC1 (0.59) NPC1RAB9AMEN1KMT2APTGS2
SCHEMBL7875424 0.73 ALOX5 (0.68) NPC1RAB9AALOX5ALDH1A1MAPT
SCHEMBL1708181 0.73 ALOX5 (0.62) NPC1RAB9AALOX5ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed

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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 NPC1 2834/4885RAB9A 152/4885ALOX5 1615/4885

“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.