SCHEMBL3101852

SCHEMBL3101852

Cc1c(COc2ccc(C(=O)N3CCOCC3)c(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.69
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
NPSR1 Q6W5P4 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13097965 0.95 CYP2D6 (0.67) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL3099632 0.89 CYP2D6 (0.74) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL3094940 0.87 CYP2D6 (0.71) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097558 0.84 CYP2D6 (0.77) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097590 0.83 CYP2D6 (0.86) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097963 0.82 CYP2D6 (0.71) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL3101982 0.82 CYP2D6 (1.00) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097557 0.81 CYP2D6 (0.77) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097564 0.80 CYP2D6 (0.85) CYP2D6KDM4EHPGDLMNAMAPT
SCHEMBL13097897 0.80 CYP2D6 (0.78) CYP2D6KDM4EHPGDLMNAMAPT

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 8 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-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
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
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 CYP2D6 230/4885KDM4E 1769/4885HPGD 43/4885

“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.