SCHEMBL13097042

SCHEMBL13097042

c1ccc(COc2cccc(OCCc3ccncc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
MAOB P27338 3/20 0.55
FFAR1 O14842 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
ABCB1 P08183 2/20 0.52
SLC2A1 P11166 1/20 0.52
BCHE P06276 1/20 0.51
F2 P00734 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.51
HTT P42858 2/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR4 O00206 1/20 0.50

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
SCHEMBL13097024 0.85 MAPK1 (0.64) MAOBFFAR1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL17912866 0.83 NPC1 (0.60) LTA4HMAOBFFAR1NPC1
SCHEMBL6910779 0.81 FFAR1 (0.60) MAOBFFAR1CYP4F2CYP4A11BCHE
SCHEMBL13097043 0.81 LTA4H (0.53) LTA4HFFAR1SMN1; SMN2SLC2A1TLR4
SCHEMBL13097044 0.81 MAPT (0.43) LTA4HMAOBFFAR1SMN1; SMN2ABCB1
SCHEMBL13097032 0.81 ALDH1A1 (0.61) MAOBFFAR1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL8783402 0.80 F2 (0.63) LTA4HFFAR1SMN1; SMN2ABCB1BCHE
SCHEMBL13462936 0.80 LTA4H (0.55) LTA4HSMN1; SMN2SLC2A1MAPK1
SCHEMBL13107288 0.80 LTA4H (0.55) LTA4HSMN1; SMN2SLC2A1NPC1
SCHEMBL4569962 0.80 F2 (0.60) LTA4HMAOBFFAR1SMN1; SMN2ABCB1

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 2 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US 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 421/4885MAOB 200/4885FFAR1 1105/4885

“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.