SCHEMBL260968

SCHEMBL260968

CCOC(=O)CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.68
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
MAPT P10636 6/20 0.50
KDM4E B2RXH2 2/20 0.50
FAAH O00519 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL15232603 0.84 MGLL (0.71) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL14617269 0.84 MGLL (0.84) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL28259366 0.84 MGLL (0.63) MGLLBCL9CTNNB1MAPTKDM4E
SCHEMBL18703462 0.83 MGLL (0.78) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL13731359 0.83 MGLL (0.56) MGLLMAPTFAAHTRPV1RAB9A
SCHEMBL27183007 0.82 MGLL (0.68) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL716408 0.82 MEN1 (0.61) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL16139295 0.81 MGLL (1.00) MGLLBCL9CTNNB1MAPTFAAH
SCHEMBL10118008 0.81 MGLL (0.51) MGLLBCL9CTNNB1MAPTKDM4E
SCHEMBL18703464 0.81 MGLL (0.70) MGLLBCL9CTNNB1MAPTFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MGLL 1679/4885BCL9 4665/4885CTNNB1 3264/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MGLL 2114/4885BCL9 4601/4885CTNNB1 3246/4885

“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.