SCHEMBL13097058

SCHEMBL13097058

Cc1c(COc2cccc(N3CCC4(CCCO4)CC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MGLL Q99685 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
RIPK1 Q13546 1/20 0.35
KDR P35968 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
BCHE P06276 1/20 0.34
LIPC P11150 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL13106643 0.90 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP11B1CYP11B2
SCHEMBL13097085 0.86 PRKDC (0.44) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13097081 0.86 MAPT (0.43) MAPTMGLLHRH4ABCG2NPC1
SCHEMBL13097318 0.85 PRMT5 (0.44) MAPTMGLLHRH4ABCG2NPC1
SCHEMBL13097055 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL13097314 0.81 MAOB (0.44) MAPTMGLLHRH4NPC1RAB9A
SCHEMBL13096970 0.79 MAOB (0.51) MAPTNPC1RAB9ASMN1; SMN2BCHE
SCHEMBL13097459 0.78 MAPT (0.42) MAPTMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL13097273 0.78 ALDH1A1 (0.48) MAPTMGLLRAB9ASMN1; SMN2
SCHEMBL13096793 0.78 HTR1A (0.43) MAPTNPC1RAB9ASMN1; 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 SLC6A2 1834/4885SLC6A4 2561/4885SLC6A3 2681/4885

“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.