SCHEMBL13106643

SCHEMBL13106643

CCCCOc1c(C)c(COc2cccc(N3CCC4(CCCO4)CC3)c2)nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
DHODH Q02127 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 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
SCHEMBL13097058 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MMP2MMP9
SCHEMBL13107285 0.86 KDM4E (0.42) GPBAR1ALDH1A1LMNAL3MBTL1CYSLTR2
SCHEMBL13107219 0.86 TP53 (0.43) GPBAR1ALDH1A1LMNANPY1RNPY2R
SCHEMBL13106692 0.86 DHODH (0.38) GPBAR1ALDH1A1LMNANPY1RNPY2R
SCHEMBL13107332 0.81 DHODH (0.41) GPBAR1ALDH1A1LMNANPY1RNPY2R
SCHEMBL13106640 0.80 GRIN1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL13106232 0.80 GPBAR1 (0.40) GPBAR1ALDH1A1LMNAL3MBTL1CYSLTR2
SCHEMBL13106681 0.79 MEN1 (0.48) ALDH1A1LMNADHODHMAPTNPC1
SCHEMBL13106336 0.79 ADAM17 (0.38) MMP2MMP9GPBAR1ALDH1A1LMNA
SCHEMBL13349888 0.78 CYSLTR1 (0.55) GPBAR1ALDH1A1LMNACYSLTR2CYSLTR1

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 3 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
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 SLC6A2 1834/4885SLC6A4 2561/4885SLC6A3 2681/4885

“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.