SCHEMBL5595455

SCHEMBL5595455

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(-c2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
GRIK1 P39086 7/20 0.66
KDR P35968 1/20 0.64
TRPV1 Q8NER1 1/20 0.58
IDH2 P48735 6/20 0.58
NTRK1 P04629 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
ALDH1A1 P00352 2/20 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
SCHEMBL7493381 0.86 KDR (0.62) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL7535275 0.85 CXCR1 (0.64) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL17664319 0.84 KMT2A (0.82) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL7551214 0.83 TRPV1 (0.59) MEN1KMT2AMAPTKDRTRPV1
SCHEMBL1463167 0.82 KDR (0.73) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL30069239 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL17609423 0.81 MAPT (1.00) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL7556107 0.81 NTRK1 (0.70) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL5597699 0.80 KMT2A (0.90) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL30101230 0.80 KMT2A (0.90) MEN1KMT2AMAPTHTTRAB9A

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 10 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
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US 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-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 MEN1 4754/4885KMT2A 3978/4885MAPT 698/4885

“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.