SCHEMBL5604729

SCHEMBL5604729

O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.70
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
TRPV1 Q8NER1 2/20 0.58
CXCR1 P25024 1/20 0.56
CXCR2 P25025 1/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
P2RX1 P51575 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
TP53 P04637 1/20 0.52
GRIK1 P39086 1/20 0.52

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
SCHEMBL5595358 0.91 TRPV1 (0.61) CHRNA7MEN1KMT2ATRPV1CXCR1
SCHEMBL7495393 0.87 MEN1 (0.56) CHRNA7MEN1KMT2ATRPV1CXCR1
SCHEMBL330280 0.85 TMPRSS4 (0.69) CHRNA7MEN1KMT2ATRPV1PDK1
SCHEMBL1459621 0.83 CHRNA7 (1.00) CHRNA7MEN1KMT2ATRPV1GAA
SCHEMBL1462991 0.81 GRIK1 (0.76) MEN1KMT2ATRPV1CXCR1CXCR2
SCHEMBL20472469 0.81 CHRNA7 (0.76) CHRNA7MEN1KMT2ATRPV1GAA
SCHEMBL29776952 0.81 CHRNA7 (0.76) CHRNA7MEN1KMT2ATRPV1GAA
SCHEMBL1462428 0.79 MEN1 (1.00) CHRNA7MEN1KMT2ATRPV1CA12
SCHEMBL29389109 0.79 MEN1 (1.00) CHRNA7MEN1KMT2ATRPV1CA12
SCHEMBL5391358 0.79 KMT2A (0.67) MEN1KMT2ACXCR1CXCR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 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
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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 CHRNA7 2730/4885MEN1 4754/4885KMT2A 3978/4885

“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.