SCHEMBL13097537

SCHEMBL13097537

CCOC(=O)N1CCN(Cc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 8/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 6/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.50
STAT1 P42224 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13349933 0.84 MAPT (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL13097684 0.83 CYP2D6 (0.49) ALDH1A1MAPTSMN1; SMN2GAAHSD17B10
SCHEMBL3099236 0.81 SMN1; SMN2 (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097909 0.79 SMN1; SMN2 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097792 0.79 KMT2A (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097552 0.78 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097690 0.78 CYP2D6 (0.59) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097836 0.78 SMN1; SMN2 (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097801 0.77 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL13097730 0.77 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E

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 524/4885MAPT 4661/4885KMT2A 1299/4885

“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.