SCHEMBL5594835

SCHEMBL5594835

O=C(Nc1ccccc1)Nc1ccc(O)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RCE1 Q9Y256 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
GRIK1 P39086 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
CXCR2 P25025 2/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56

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
SCHEMBL8492558 1.00 MAOA (0.62) MAOAMAOBALDH1A1KDM4EHPGD
Thiophene SCHEMBL27576148 0.91 MAOA (0.53) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL4350075 0.85 CXCR2 (0.71) MAOAMAOBALDH1A1KDM4ENPSR1
SCHEMBL5950432 0.84 GRIK1 (0.78) ALDH1A1KDM4EHSD17B10GRIK1NPC1
SCHEMBL5950315 0.84 ALDH1A1 (0.74) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL31580808 0.82 KDM4E (0.71) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL1462332 0.82 KDM4E (0.71) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL24272365 0.82 SMN1; SMN2 (0.74) MAOAMAOBALDH1A1KDM4ETRPV1
SCHEMBL21750979 0.82 MAOA (0.61) MAOAMAOBKDM4ENPSR1TRPV1
SCHEMBL29757933 0.82 SMN1; SMN2 (0.74) MAOAMAOBALDH1A1KDM4ETRPV1

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 16 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-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 MAOA 4577/4885MAOB 4369/4885ALDH1A1 2239/4885

“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.