SCHEMBL5595358

SCHEMBL5595358

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
CHRNA7 P36544 1/20 0.60
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPC1 O15118 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
SCHEMBL7495393 0.94 MEN1 (0.56) TRPV1CHRNA7KMT2AMEN1CXCR1
SCHEMBL5604729 0.91 CHRNA7 (0.70) TRPV1CHRNA7KMT2AMEN1CXCR1
SCHEMBL6826190 0.84 CXCR1 (0.70) TRPV1KMT2AMEN1CXCR1CXCR2
SCHEMBL5595105 0.84 CXCR1 (0.70) TRPV1KMT2AMEN1CXCR1CXCR2
SCHEMBL5605030 0.84 CXCR1 (0.62) CHRNA7KMT2AMEN1CXCR1CXCR2
SCHEMBL330280 0.83 TMPRSS4 (0.69) TRPV1CHRNA7KMT2AMEN1MAPT
SCHEMBL5468450 0.81 TRPV1 (0.78) TRPV1KMT2AMEN1CXCR1CXCR2
SCHEMBL3706835 0.81 KMT2A (0.74) TRPV1KMT2AMEN1CXCR1CXCR2
SCHEMBL5595104 0.81 CXCR1 (0.80) KMT2AMEN1CXCR1CXCR2MAPT
SCHEMBL20472469 0.81 CHRNA7 (0.76) TRPV1CHRNA7KMT2AMEN1MAPT

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 11 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
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP 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
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 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 TRPV1 712/4885CHRNA7 2730/4885KMT2A 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.