SCHEMBL13097229

SCHEMBL13097229

COCCCOc1ccnc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
CYP2D6 P10635 1/20 0.37
GRM4 Q14833 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DDAH1 O94760 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
IDE P14735 1/20 0.35
HPGD P15428 1/20 0.35
ADRA2B P18089 1/20 0.35
TBXA2R P21731 1/20 0.35
ACHE P22303 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL13106293 0.90 GRM4 (0.39) GABRA5CYP2D6GRM4HTTSMN1; SMN2
SCHEMBL13097261 0.87 CYP2D6 (0.43) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097266 0.87 CYP2D6 (0.49) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097245 0.87 GABRA5 (0.39) GABRA5CYP2D6MAPTALDH1A1TDP1
SCHEMBL3109558 0.86 CYP2D6 (0.54) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097212 0.85 GABRA5 (0.40) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097246 0.84 GABRA5 (0.39) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097269 0.83 GABRA5 (0.41) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097270 0.83 CYP2D6 (0.42) GABRA5CYP2D6STAT3HTTSMN1; SMN2
SCHEMBL13097301 0.83 GABRA5 (0.40) GABRA5CYP2D6STAT3HTTSMN1; SMN2

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 GABRA5 3532/4885CYP2D6 230/4885GRM4 2798/4885

“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.