SCHEMBL13097751

SCHEMBL13097751

Cc1c(CCC2CCN(C(=O)C3CCOCC3)CC2)[nH]c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 4/20 0.48
CYP2D6 P10635 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
ALOX15 P16050 3/20 0.40
MAPT P10636 2/20 0.40
CHRM3 P20309 1/20 0.40
TP53 P04637 2/20 0.39
HTT P42858 3/20 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
SCHEMBL13097727 0.93 SMN1; SMN2 (0.46) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL13097901 0.91 MAPK10 (0.43) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL13097902 0.88 CYP2D6 (0.49) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL13097904 0.87 SMN1; SMN2 (0.45) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL28784783 0.85 CYP2D6 (0.43) CYP2D6HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL3099236 0.82 SMN1; SMN2 (0.54) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL13097746 0.82 MAPT (0.43) MAPK10CYP2D6HPGDKDM4EHSD17B10
SCHEMBL13097897 0.81 CYP2D6 (0.78) MAPK10TSHRLMNACYP2D6HPGD
SCHEMBL13097900 0.80 MAPT (0.41) MAPK10CYP2D6HPGDKDM4EHSD17B10
SCHEMBL13097758 0.80 NPC1 (0.45) MAPK10CYP2D6HPGDKDM4EHSD17B10

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 MAPK10 2359/4885TSHR 4536/4885LMNA 2595/4885

“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.