SCHEMBL13097081

SCHEMBL13097081

Cc1c(COc2cccc(N3CCCCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
MGLL Q99685 1/20 0.41
NPY5R Q15761 1/20 0.40
NCF1 P14598 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ABL1 P00519 2/20 0.39

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
SCHEMBL13097085 0.90 PRKDC (0.44) MAPTHTR1AHTR1DHTR1BNCF1
SCHEMBL13097314 0.89 MAOB (0.44) MAPTHRH4HTR1AHTR1DHTR1B
SCHEMBL13107219 0.88 TP53 (0.43) MAPTHTR1ANPY5RNCF1KDM4E
SCHEMBL13097318 0.88 PRMT5 (0.44) MAPTHRH4MGLLKDM4EABCG2
SCHEMBL13097421 0.86 FFAR1 (0.44) MAPTHTR1AHTR1DHTR1BMGLL
SCHEMBL13096970 0.86 MAOB (0.51) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13097058 0.86 SLC6A2 (0.38) MAPTHRH4MGLLACHEABCG2
SCHEMBL13097273 0.85 ALDH1A1 (0.48) MAPTMGLLKDM4ERAB9ASMN1; SMN2
SCHEMBL13097417 0.85 FFAR1 (0.45) MAPTHTR1AHTR1DHTR1BMGLL
SCHEMBL13097073 0.84 MAPT (0.38) MAPTHRH4HTR1AHTR1DHTR1B

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 4661/4885HRH4 1218/4885HTR1A 2696/4885

“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.