SCHEMBL659166

SCHEMBL659166

Cc1cc(O)c2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
BRD4 O60885 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MAOB P27338 2/20 0.43
GRM5 P41594 1/20 0.43
BDKRB2 P30411 2/20 0.43
LIPE Q05469 1/20 0.43

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
SCHEMBL6642612 0.85 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL659328 0.84 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL6640544 0.83 PTGER1 (0.52) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL6080497 0.82 MRGPRX4 (0.51) ADORA1ADORA3ADORA2AMRGPRX4
SCHEMBL6643771 0.82 L3MBTL1 (0.48) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL6639484 0.81 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL6642784 0.81 LMNA (0.47) MAPTMAPK1TDP1L3MBTL1ADORA1
SCHEMBL6079823 0.80 LMNA (0.50) ADORA1ADORA3ADORA2ALMNABRD4
SCHEMBL6645842 0.79 CCR6 (0.52) MEN1KMT2AHTTMRGPRX4MAOB
SCHEMBL1564292 0.78 GAA (0.54) MAPTMAPK1TDP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
CN-1168667-A Pyridopyrimidones, quinolines and fused N-heretocycles as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (2 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR MAPT 2300/4885MAPK1 740/4885TDP1 3522/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR MAPT 2300/4885MAPK1 740/4885TDP1 3522/4885

“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.