SCHEMBL13097044

SCHEMBL13097044

Cc1c(COc2cccc(OCCc3ccncc3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LTA4H P09960 1/20 0.43
SLC2A1 P11166 2/20 0.41
MAOB P27338 1/20 0.41
ABCB1 P08183 2/20 0.41
ACHE P22303 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL13097026 0.90 MAPT (0.48) MAPTMAOBSMN1; SMN2KMT2A
SCHEMBL13107290 0.90 GPBAR1 (0.46) MAPTNOS3NOS1NOS2LTA4H
SCHEMBL13096970 0.88 MAOB (0.51) MAPTMAOBSMN1; SMN2TDP1GLA
SCHEMBL13097036 0.87 KMT2A (0.44) MAPTNOS3NOS1NOS2MAOB
SCHEMBL13096808 0.85 GPBAR1 (0.51) MAPTMAOBSMN1; SMN2TDP1KMT2A
SCHEMBL13106245 0.82 GPBAR1 (0.49) MAPTMAOBSMN1; SMN2GLARAB9A
SCHEMBL13097106 0.82 MAOB (0.41) MAPTMAOBSMN1; SMN2TDP1GLA
SCHEMBL13096824 0.82 CYP2D6 (0.49) MAPTMAOBSMN1; SMN2GLARAB9A
SCHEMBL13107206 0.82 GPBAR1 (0.44) MAPTTDP1KMT2A
SCHEMBL13096805 0.82 APP (0.45) MAPTMAOBSMN1; SMN2TDP1RAB9A

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 MAPT 4661/4885NOS3 839/4885NOS1 797/4885

“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.