SCHEMBL5595023

SCHEMBL5595023

O=C(NCc1ccccc1)Nc1cc2ccccc2cc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
GSK3B P49841 1/20 0.64
CA2 P00918 4/20 0.61
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA9 Q16790 3/20 0.61
TRPV1 Q8NER1 1/20 0.61
CFD P00746 1/20 0.57
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
IMPDH2 P12268 1/20 0.50
IKBKB O14920 1/20 0.49
LMNA P02545 1/20 0.49
PPIA P62937 1/20 0.49
CHEK1 O14757 1/20 0.48
EPHX1 P07099 1/20 0.47

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
SCHEMBL4915036 0.85 HDAC6 (0.61) KDM4EGSK3BCA2CA12CA1
SCHEMBL4347125 0.82 TRPV1 (0.65) KDM4EGSK3BCA2CA12CA1
SCHEMBL22588921 0.81 CFD (0.69) KDM4EGSK3BCA2CA12CA1
SCHEMBL4350377 0.79 CA12 (0.66) KDM4EGSK3BCA2CA12CA1
SCHEMBL6568616 0.79 CXCR2 (0.65) KDM4EGSK3BCA2CA12CA1
SCHEMBL4782120 0.79 CA2 (0.59) KDM4EGSK3BCA2CA12CA1
SCHEMBL1395176 0.78 KDM4E (1.00) KDM4EGSK3BTRPV1CFDALDH1A1
SCHEMBL29971510 0.78 KDM4E (1.00) KDM4EGSK3BTRPV1CFDALDH1A1
SCHEMBL14470506 0.77 IMPDH2 (0.73) KDM4EGSK3BCA2CA12CA1
SCHEMBL7853763 0.77 ROCK2 (0.58) KDM4EGSK3BCA2CA12CA1

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 13 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
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-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-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP 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 KDM4E 3818/4885GSK3B 4230/4885CA2 4557/4885

“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.