SCHEMBL6807425

SCHEMBL6807425

CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA2 P00918 1/20 0.58
BACE1 P56817 2/20 0.55
CTSL P07711 5/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
USP21 Q9UK80 1/20 0.54
MMP1 P03956 2/20 0.53
FCER2 P06734 1/20 0.53
MMP3 P08254 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
POLB P06746 1/20 0.52
CENPE Q02224 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6807421 1.00 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL27659000 0.87 CA2 (0.67) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4366751 0.87 CA2 (0.67) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL6802085 0.87 ALDH1A1 (0.53) CA2MMP1MMP3MEN1KMT2A
SCHEMBL6802093 0.87 ALDH1A1 (0.53) CA2MMP1MMP3MEN1KMT2A
SCHEMBL4362723 0.86 ALDH1A1 (0.59) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL13956888 0.86 CTSL (0.70) CTSLCTSSCTSKMMP1FCER2
SCHEMBL1351202 0.85 CTSL (0.56) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4368609 0.85 RAB9A (0.60) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL6800540 0.85 NPC1 (0.59) NPC1RAB9ATP53SMN1; SMN2CA2

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE NPC1 4576/4885RAB9A 3191/4885TP53 1609/4885

“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.