SCHEMBL7488276

SCHEMBL7488276

COc1ccc(NC(=O)N(NC(N)=O)c2cccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7573119 0.78 P2RX1 (0.50) MAPTALDH1A1RAB9AHTTMEN1
Urea SCHEMBL7488270 0.75 CXCR1 (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27587713 0.74 ALDH1A1 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7159826 0.74 MEN1 (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7490526 0.73 CXCR1 (0.72) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11441761 0.68 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2156952 0.68 GAA (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3595597 0.67 HTT (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5224176 0.67 RAB9A (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27587707 0.66 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN MAPT 698/4885ALDH1A1 2239/4885NPC1 1517/4885

“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.