SCHEMBL13097758

SCHEMBL13097758

COCC(=O)N1CCC(CCc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.44
AKR1C3 P42330 2/20 0.42
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK10 P53779 1/20 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
SCHEMBL13097746 0.88 MAPT (0.43) NPC1RAB9AMAPTAKR1C3HSD17B10
SCHEMBL28784783 0.86 CYP2D6 (0.43) MAPTAKR1C3HSD17B10ALDH1A1CYP2D6
SCHEMBL13097900 0.86 MAPT (0.41) NPC1RAB9AMAPTAKR1C3HSD17B10
SCHEMBL3099236 0.86 SMN1; SMN2 (0.54) MAPTHSD17B10ALDH1A1CYP2D6KDM4E
SCHEMBL13097778 0.85 CYP2D6 (0.43) NPC1RAB9AMAPTAKR1C3HSD17B10
SCHEMBL13097727 0.85 SMN1; SMN2 (0.46) MAPTAKR1C3HSD17B10ALDH1A1CYP2D6
SCHEMBL13097902 0.83 CYP2D6 (0.49) NPC1RAB9AMAPTHSD17B10ALDH1A1
SCHEMBL13097901 0.83 MAPK10 (0.43) MAPTHSD17B10ALDH1A1CYP2D6HPGD
SCHEMBL13097756 0.82 CYP2D6 (0.39) NPC1RAB9AMAPTAKR1C3ALDH1A1
SCHEMBL13097751 0.80 MAPK10 (0.48) MAPTHSD17B10ALDH1A1CYP2D6TLR9

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 NPC1 581/4885RAB9A 2422/4885MAPT 4661/4885

“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.