SCHEMBL280608

SCHEMBL280608

C/C=C/C(=O)N(CC)CC=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.33
PSMB5 P28074 2/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL104713 0.84 NPC1 (0.48) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL104712 0.84 NPC1 (0.48) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL16098956 0.77 ZDHHC20 (0.39) NPC1L3MBTL1LMNAPSMB5MMP1
SCHEMBL9113596 0.77 CA12 (0.41) NPC1L3MBTL1CYP3A4LMNAPSMB5
SCHEMBL17666080 0.75 NPC1 (0.42) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL17666075 0.75 NPC1 (0.42) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL871607 0.73
SCHEMBL10706477 0.72 CYP3A4 (0.36) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL10706470 0.72 CYP3A4 (0.36) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL1630772 0.71 NPC1 (0.54) NPC1L3MBTL1CYP3A4LMNATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (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 NPC1 2947/4885L3MBTL1 3599/4885CYP3A4 400/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 NPC1 3482/4885L3MBTL1 3097/4885CYP3A4 1005/4885

“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.