SCHEMBL2875014

SCHEMBL2875014

NC(=O)Cc1cncc(Cl)c1CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
PDXK O00764 1/20 0.36
PDE4A P27815 2/20 0.33
CYP3A4 P08684 1/20 0.33
P2RX7 Q99572 3/20 0.33
PLA2G2A P14555 1/20 0.31
BDKRB2 P30411 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL2874874 0.86 PDE4D (0.38) PDE4DICAM1SELEVCAM1PDE4A
SCHEMBL844835 0.78 PDXK (0.36) PDE4DICAM1SELEVCAM1PDXK
SCHEMBL321133 0.74 PDXK (0.40) PDE4DICAM1SELEVCAM1PDXK
SCHEMBL23374480 0.71 GALR3 (0.46) P2RX7
SCHEMBL29718773 0.71 GALR3 (0.46) P2RX7
SCHEMBL11273660 0.71 ROCK2 (0.40) CYP3A4
SCHEMBL7356678 0.71 PDE4D (0.45) PDE4DICAM1SELEVCAM1PDE4A
SCHEMBL1565002 0.71 ALDH1A1 (0.35) PDE4DPDE4A
SCHEMBL1563060 0.70 PDE4D (0.36) PDE4DPDXKPDE4AP2RX7BDKRB2
SCHEMBL1564959 0.70 SLC6A2 (0.38) PDE4DPDXKP2RX7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410134-B2 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators SHIRE ORPHAN THERAPIES GMBH (DE) 2013-04-02 US disclosed
EP-2144897-B1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-10-20 EP disclosed
US-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-09-16 US disclosed
EP-2144897-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 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-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS BDKRB2, BDKRB1, HRH2 PDE4D 1366/4885ICAM1 2641/4885SELE 2567/4885

“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.