SCHEMBL13097290

SCHEMBL13097290

Cc1c(COc2cccc(N3CCC(OCCC(C)(C)O)CC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
MAPT P10636 1/20 0.36
MGLL Q99685 2/20 0.36
HTR1A P08908 5/20 0.35
HTR1D P28221 5/20 0.35
HTR1B P28222 5/20 0.35
ABL1 P00519 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
BCR P11274 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAOB P27338 1/20 0.34
HTR6 P50406 1/20 0.34
SCN9A Q15858 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
RET P07949 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.33

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
SCHEMBL13097298 0.92 CYP2D6 (0.38) F10MAPTMGLLHTR1AHTR1D
SCHEMBL13106690 0.92 DHODH (0.35) MAPT
SCHEMBL13097073 0.89 MAPT (0.38) F10MAPTMGLLHTR1AHTR1D
SCHEMBL13097287 0.86 F10 (0.44) F10MAPTTMEM97SIGMAR1MAOB
SCHEMBL13097314 0.85 MAOB (0.44) F10MAPTMGLLHTR1AHTR1D
SCHEMBL13106618 0.83 CYP2D6 (0.37) MAPTMAOBHTR6
SCHEMBL13097106 0.83 MAOB (0.41) MAPTMAOB
SCHEMBL13097424 0.82 GRIN2B (0.43) MAPT
SCHEMBL13097081 0.81 MAPT (0.43) MAPTMGLLHTR1AHTR1DHTR1B
SCHEMBL13097181 0.81 MAOB (0.40) MAPTMAOB

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 F10 1624/4885MAPT 4661/4885MGLL 393/4885

“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.