SCHEMBL13097667

SCHEMBL13097667

Cc1c(COc2cccc3c2CN(C(=O)C2CCOCC2)CC3)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
KCNH2 Q12809 3/20 0.40
CTSB P07858 3/20 0.39
CTSS P25774 1/20 0.39
CHRM4 P08173 6/20 0.38
KCNK3 O14649 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13097668 0.90 CYP2D6 (0.47) CYP2D6ALDH1A1GAACTSBCTSS
SCHEMBL13097666 0.87 CYP2D6 (0.45) CYP2D6ALDH1A1GAAGABRG2GABRB3
SCHEMBL13097669 0.87 CYP2D6 (0.45) CYP2D6ALDH1A1GAAGABRG2GABRB3
SCHEMBL13097661 0.84 CYP2D6 (0.43) CYP2D6KDM4EMAPTPDE3BPDE3A
SCHEMBL13097645 0.82 CYP2D6 (0.53) CYP2D6KDM4EMEN1MAPTKMT2A
SCHEMBL13097633 0.80 MGLL (0.43) CYP2D6ALDH1A1CHRM4KDM4EMEN1
SCHEMBL13097662 0.78 CYP2D6 (0.44) CYP2D6ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13097664 0.77 CYP2D6 (0.47) CYP2D6ALDH1A1GAAKDM4EMEN1
SCHEMBL13097652 0.77 CYP2D6 (0.47) CYP2D6ALDH1A1GAACHRM4KDM4E
SCHEMBL13097199 0.77 CHRM4 (0.42) GABRG2GABRB3GABRA5KCNH2CHRM4

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 CYP2D6 230/4885ALDH1A1 524/4885GAA 468/4885

“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.