SCHEMBL1564657

SCHEMBL1564657

COc1cccc2c(-n3ccnc3C)cc(Cl)nc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.58
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
NQO2 P16083 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3017678 0.87 BDKRB2 (0.81) BDKRB2
SCHEMBL1563785 0.83 BDKRB2 (0.85) BDKRB2
SCHEMBL13145062 0.74 BDKRB2 (1.00) BDKRB2
SCHEMBL5440649 0.73 LMNA (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL10904420 0.73 GAA (0.47) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL29420526 0.72 NQO2 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1564603 0.72 NQO2 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11824198 0.68 CYP2A6 (0.40) BDKRB2ALDH1A1LMNAMAPT
SCHEMBL9405397 0.68 NPC1 (0.49) BDKRB2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14237644 0.68 MAOA (0.41) BDKRB2KDM4EALDH1A1GAAHSD17B10

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 6 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-2305668-A1 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators Jerini AG (DE) 2011-04-06 EP 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 BDKRB2 1/4885KDM4E 3399/4885ALDH1A1 3393/4885

“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.