SCHEMBL13097273

SCHEMBL13097273

CCOC(=O)N1CCN(c2cccc(OCc3nc4ccccc4c(OCc4ccccc4)c3C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
MGLL Q99685 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
CTNNB1 P35222 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCKAR P32238 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13106681 0.91 MEN1 (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL13097081 0.85 MAPT (0.43) KDM4EMGLLRAB9ASMN1; SMN2MAPT
SCHEMBL13097314 0.84 MAOB (0.44) LMNAKDM4EMGLLMEN1KMT2A
SCHEMBL13097085 0.84 PRKDC (0.44) ALDH1A1LMNAKDM4EHTTHPGD
SCHEMBL13097318 0.83 PRMT5 (0.44) ALDH1A1LMNAKDM4EHTTMGLL
SCHEMBL13097148 0.82 KDM4E (0.49) ALDH1A1LMNAKDM4EMGLLMAPK1
SCHEMBL13096838 0.82 HIF1A (0.54) ALDH1A1LMNAKDM4EHTTMEN1
SCHEMBL13096970 0.80 MAOB (0.51) HTTKMT2AMAPK1RAB9ASMN1; SMN2
SCHEMBL13096805 0.78 APP (0.45) HTTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12251448 0.78 TMEM97 (0.56) ALDH1A1LMNAKDM4EHTTMEN1

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 ALDH1A1 524/4885LMNA 2595/4885KDM4E 1769/4885

“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.