SCHEMBL13097552

SCHEMBL13097552

Cc1c(COC(=O)N2CCN(C(=O)C3CC3)CC2)[nH]c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MAPK10 P53779 3/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 3/20 0.47
CCR6 P51684 1/20 0.46
MAPT P10636 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP2D6 P10635 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL13097730 0.96 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097836 0.87 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097801 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097792 0.84 KMT2A (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL13097723 0.82 CYP2D6 (0.43) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097549 0.81 L3MBTL1 (0.60) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL13097727 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097800 0.80 CYP2D6 (0.51) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097804 0.78 CYP2D6 (0.54) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A
SCHEMBL13097904 0.78 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MAPK10LMNAKMT2A

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 5 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-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
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 ALDH1A1 524/4885SMN1; SMN2 4848/4885MAPK10 2359/4885

“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.