SCHEMBL13097261

SCHEMBL13097261

COC(C)(C)CCOc1ccnc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
GABRA5 P31644 2/20 0.39
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
STAT3 P40763 1/20 0.34
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAOA P21397 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL13106592 0.90 CYP2D6 (0.42) CYP2D6GABRA5HTTSMN1; SMN2MAPT
SCHEMBL3109558 0.90 CYP2D6 (0.54) CYP2D6GABRA5HTTSMN1; SMN2STAT3
SCHEMBL13096832 0.89 CYP2D6 (0.50) CYP2D6HTTSMN1; SMN2STAT3MAPT
SCHEMBL13097266 0.87 CYP2D6 (0.49) CYP2D6GABRA5HTTSMN1; SMN2STAT3
SCHEMBL13097229 0.87 GABRA5 (0.42) CYP2D6GABRA5HTTSMN1; SMN2STAT3
SCHEMBL13097270 0.84 CYP2D6 (0.42) CYP2D6GABRA5HTTSMN1; SMN2STAT3
SCHEMBL13097245 0.82 GABRA5 (0.39) CYP2D6GABRA5MAPTTDP1
SCHEMBL3098716 0.81 PDE2A (0.39) CYP2D6GABRA5MAOA
SCHEMBL13097269 0.80 GABRA5 (0.41) CYP2D6GABRA5HTTSMN1; SMN2STAT3
SCHEMBL13097301 0.80 GABRA5 (0.40) CYP2D6GABRA5HTTSMN1; SMN2STAT3

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 CYP2D6 230/4885GABRA5 3532/4885HTT 4209/4885

“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.