SCHEMBL13097635

SCHEMBL13097635

CCCCCC(=O)N1CCC(COCc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK10 P53779 1/20 0.47
CYP2D6 P10635 4/20 0.46
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.42
ESR1 P03372 2/20 0.41
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL13097541 0.88 HSD17B10 (0.49) HSD17B10SMN1; SMN2MAPK10CYP2D6MAPT
SCHEMBL13097684 0.80 CYP2D6 (0.49) HSD17B10SMN1; SMN2MAPK10CYP2D6MAPT
SCHEMBL13097501 0.77 CYP2D6 (0.56) HSD17B10SMN1; SMN2CYP2D6ALDH1A1HPGD
SCHEMBL13349933 0.77 MAPT (0.48) HSD17B10SMN1; SMN2MAPK10CYP2D6MAPT
SCHEMBL13097608 0.76 GSK3B (0.42) HSD17B10SMN1; SMN2MAPK10CYP2D6MAPT
SCHEMBL13097496 0.76 CYP2D6 (0.64) HSD17B10CYP2D6ALDH1A1HPGDHTT
SCHEMBL13097631 0.75 CYP2D6 (0.58) HSD17B10SMN1; SMN2CYP2D6MAPTUSP2
SCHEMBL13097743 0.74 ALDH1A1 (0.53) HSD17B10SMN1; SMN2CYP2D6MAPTALDH1A1
SCHEMBL13097778 0.74 CYP2D6 (0.43) HSD17B10SMN1; SMN2MAPK10CYP2D6MAPT
SCHEMBL13097555 0.73 CYP2D6 (0.67) HSD17B10SMN1; SMN2CYP2D6MAPTALDH1A1

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 HSD17B10 164/4885SMN1; 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.