SCHEMBL13097008

SCHEMBL13097008

c1ccc(COc2ccc(OCC3CCOCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 2/20 0.49
MAOA P21397 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
BCHE P06276 1/20 0.46
NPC1 O15118 1/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL11247509 0.89 LMNA (0.58) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL1278162 0.87 TDP1 (0.53)
SCHEMBL23641005 0.83 PRKDC (0.42) MAOBMAOAALDH1A1
SCHEMBL27038063 0.81 MAOB (0.53) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL13097010 0.80 PARP15 (0.47) MAOB
SCHEMBL13097011 0.80 CYP2D6 (0.43) LMNAEGFR
SCHEMBL15000452 0.80 F2 (0.45) LMNASMN1; SMN2ALDH1A1
SCHEMBL19539970 0.79 TDP1 (0.46)
Bromide SCHEMBL14993068 0.79 F2 (0.44) LMNASMN1; SMN2ALDH1A1
SCHEMBL13097002 0.78 MAOB (0.47) MAOBMAOABCHEALDH1A1

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 MAOB 200/4885LMNA 2595/4885CYP1A2 154/4885

“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.