SCHEMBL5595207

SCHEMBL5595207

O=C(Nc1ccccc1Br)Nc1cccc(-c2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
CXCR2 P25025 11/20 0.51
CXCR1 P25024 9/20 0.51
GRIK1 P39086 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6820254 1.00 HTT (0.52) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5594941 0.87 NPC1 (0.50) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5594936 0.81 RAB9A (0.59) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL7896676 0.80 CXCR1 (0.57) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5595211 0.79 CXCR1 (0.64) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5188558 0.79 RAB9A (0.78) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL7896679 0.79 RAB9A (0.59) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5594826 0.78 CXCR2 (0.57) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL5595432 0.78 RET (0.56) HTTKMT2AMEN1CXCR2MAPT
SCHEMBL5594974 0.77 KMT2A (0.61) HTTKMT2AMEN1RAB9ANPC1

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 8 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
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 HTT 3161/4885KMT2A 3978/4885MEN1 4754/4885

“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.