SCHEMBL7486283

SCHEMBL7486283

COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPT P10636 7/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 2/20 0.58
THRB P10828 1/20 0.57
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
KDM4E B2RXH2 2/20 0.56
LPAR1 Q92633 3/20 0.56
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL7493660 0.87 CXCR1 (0.67) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7490526 0.84 CXCR1 (0.72) MEN1KMT2AMAPTALDH1A1RAB9A
Urea SCHEMBL7488270 0.81 CXCR1 (0.67) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL11224174 0.80 CXCR2 (0.60) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7555978 0.78 KDM4E (0.64) MEN1KMT2AMAPTALDH1A1CXCR1
SCHEMBL5595021 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5595177 0.78 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12189399 0.76 KDM4E (0.65) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12305607 0.75 GAA (0.68) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5595012 0.74 MAPT (0.57) MEN1KMT2AMAPTALDH1A1KDM4E

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 MEN1 4754/4885KMT2A 3978/4885MAPT 698/4885

“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.