SCHEMBL13097025

SCHEMBL13097025

Oc1cccc(OCCc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
MAPK1 P28482 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
APP P05067 1/20 0.44
CHRNA7 P36544 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTR1A P08908 1/20 0.43
GPR132 Q9UNW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTAFR P25105 1/20 0.43
CYP4F2 P78329 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
SCHEMBL22964344 0.86 MAPK1 (0.58) MAPK1APPGPR132
SCHEMBL13097024 0.84 MAPK1 (0.64) DRD2MAPK1HTR1AGPR132CYP4F2
SCHEMBL13097043 0.83 LTA4H (0.53) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL12015516 0.82 F2 (0.51) DRD2DRD4MAPK1CHRNB2CHRNA4
SCHEMBL13106257 0.81 TDP1 (0.58) MAPK1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL5753264 0.81 LTA4H (0.57) DRD2MAPK1CHRNB2CHRNA4CHRNA7
SCHEMBL25197061 0.81 DRD2 (0.65) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL661821 0.81 DRD2 (0.65) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL11071679 0.79 CHRNA7 (0.53) DRD2CHRNA7CYP2D6PTAFR
SCHEMBL6084474 0.79 CYP4F2 (0.54) CHRNB2CHRNA4PTAFRCYP4F2CYP4A11

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK DRD2 3106/4885DRD4 2577/4885ADRA1D 1884/4885

“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.