SCHEMBL13097043

SCHEMBL13097043

Oc1cccc(OCCc2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
DRD2 P14416 1/20 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
SLC2A1 P11166 5/20 0.48
SLC2A4 P14672 3/20 0.47
APP P05067 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SLC2A8 Q9NY64 1/20 0.46
FFAR1 O14842 1/20 0.44
TLR4 O00206 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
SCHEMBL16018314 0.85 APP (0.65) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL25197061 0.85 DRD2 (0.65) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL661821 0.85 DRD2 (0.65) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13097025 0.83 DRD2 (0.49) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13097042 0.81 LTA4H (0.61) LTA4HSLC2A1FFAR1TLR4TLR2
SCHEMBL12875452 0.81 F2 (0.62) LTA4HDRD2DRD4DRD3SLC2A1
SCHEMBL6910779 0.81 FFAR1 (0.60) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13452118 0.81 LTA4H (0.53) LTA4HSLC2A1SLC2A4CYP11B1CYP11B2
SCHEMBL4699232 0.81 GPR84 (0.52) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL13439826 0.80 LMNA (0.56) LTA4HSLC2A1SLC2A4CYP11B1CYP11B2

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 LTA4H 421/4885CHRNB2 3048/4885CHRNA4 1760/4885

“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.