SCHEMBL18213612

SCHEMBL18213612

CC(=O)c1cn(C)c(C)c(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL1663680 0.72 NOTUM (0.41) MAPTKMT2AKDM4ESMN1; SMN2POLB
SCHEMBL13555544 0.72 KDM4E (0.38) CYP2C9KDM4EHSD17B10HTT
SCHEMBL27353963 0.72 BRD4 (0.31) BRD4CYP2C9KDM4E
SCHEMBL10526527 0.70 MAOB (0.36) L3MBTL1MAOBKMT2AKDM4EHSD17B10
SCHEMBL13774352 0.68 KDM4E (0.51) BRD4L3MBTL1MAOBMAPTKMT2A
SCHEMBL17341802 0.68 BRD4 (0.38) BRD4L3MBTL1HDAC8SMN1; SMN2
SCHEMBL22641328 0.68 HSP90AB1 (0.36) BRD4L3MBTL1MAPTKMT2AKDM4E
SCHEMBL4510662 0.67 LMNA (0.65) BRD4L3MBTL1MAOBMAPTKMT2A
SCHEMBL12249887 0.67 GMNN (0.30) BRD4MAPTLMNA
SCHEMBL12249886 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326165-A1 ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG KINKI UNIVERSITY (JP) 2016-11-10 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-20160326165-A1 ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG ALPI, CYP2B6, CYP2A6 BRD4 4664/4885L3MBTL1 1739/4885MAOB 419/4885

“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.