SCHEMBL13097026

SCHEMBL13097026

Cc1c(COc2cccc(OCCc3cccnc3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAPK1 P28482 3/20 0.46
GRM2 Q14416 2/20 0.42
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAOB P27338 1/20 0.39
GBA1 P04062 2/20 0.39
GPR132 Q9UNW8 3/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL13107206 0.92 GPBAR1 (0.44) MAPTMAPK1GRM2CYP3A4LMNA
SCHEMBL13097044 0.90 MAPT (0.43) MAPTKMT2AMAOBSMN1; SMN2
SCHEMBL13096970 0.87 MAOB (0.51) MAPTMAPK1CYP3A4KMT2AMAOB
SCHEMBL13097036 0.85 KMT2A (0.44) MAPTCYP3A4HTR1ADRD2MEN1
SCHEMBL13096808 0.84 GPBAR1 (0.51) MAPTCYP3A4LMNAMEN1CYP1A2
SCHEMBL13097024 0.82 MAPK1 (0.64) MAPK1GRM2LMNAHTR1ADRD2
SCHEMBL13096730 0.81 GBA1 (0.43) MAPTGBA1
SCHEMBL13107290 0.81 GPBAR1 (0.46) MAPTCYP3A4LMNAMEN1CYP1A2
SCHEMBL13106245 0.81 GPBAR1 (0.49) MAPTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL13097106 0.80 MAOB (0.41) MAPTCYP2D6KMT2AMAOBSMN1; 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 MAPT 4661/4885MAPK1 1589/4885GRM2 3040/4885

“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.