SCHEMBL5594738

SCHEMBL5594738

O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.66
TP53 P04637 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
TRPV1 Q8NER1 2/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.50
KCNH2 Q12809 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
SCHEMBL20472469 0.88 CHRNA7 (0.76) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL29776952 0.88 CHRNA7 (0.76) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL6820148 0.86 CYP1A2 (0.54) CHRNA7TP53GAAMAPTKMT2A
SCHEMBL3681047 0.84 CHRNA7 (0.67) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL5594672 0.84 KDR (0.69) TP53GAAMAPTTRPV1KMT2A
SCHEMBL3671992 0.82 CHRNA7 (0.72) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL3675242 0.80 TRPV1 (0.64) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL13451876 0.80 CHRNA7 (0.64) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL1459621 0.80 CHRNA7 (1.00) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL3670678 0.79 CHRNA7 (0.67) CHRNA7TP53GAAMAPTTRPV1

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 17 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
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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 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
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO 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 2730/4885TP53 1373/4885GAA 4182/4885

“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.