SCHEMBL13097051

SCHEMBL13097051

Cc1c(COc2cccc(OCCN3CCOCC3)c2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SYK P43405 1/20 0.41
MET P08581 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL13096988 0.91 MCHR1 (0.50) MCHR1LTA4HALDH1A1HTTKDM4E
SCHEMBL13107277 0.90 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESYKTSHR
SCHEMBL13096951 0.83 CYP2D6 (0.46)
SCHEMBL13097038 0.83 CYP2D6 (0.40)
SCHEMBL13097462 0.82 DDB1 (0.41) ALDH1A1HTTKDM4E
SCHEMBL13097446 0.81 MAP4K1 (0.42) ALDH1A1HTTKDM4E
SCHEMBL13106252 0.81 ALDH1A1 (0.48) LTA4HALDH1A1HTTKDM4EKMT2A
SCHEMBL13097150 0.80 DHODH (0.41) KMT2A
SCHEMBL13097182 0.79 DHODH (0.41) KMT2A
SCHEMBL13097444 0.79 MAOB (0.53) HTTSMN1; SMN2

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 2 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US 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 MCHR1 4709/4885LTA4H 421/4885ALDH1A1 524/4885

“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.