SCHEMBL13834741

SCHEMBL13834741

CC(C)(C)C1[C@H](Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cnccc32)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
PTGER4 P35408 5/20 0.41
BRD4 O60885 3/20 0.38
MCHR1 Q99705 4/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
DHODH Q02127 2/20 0.35

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
SCHEMBL12764531 0.76 BRD4 (0.52) ATMPTGER4BRD4
SCHEMBL12632192 0.75 BRD4 (0.62) ATMPTGER4BRD4
SCHEMBL13834447 0.75 BRD4 (0.62) ATMPTGER4BRD4
SCHEMBL13834740 0.74 BRD4 (0.48) PTGER4BRD4KDM4E
SCHEMBL2029083 0.74 BRD4 (0.48) PTGER4BRD4KDM4E
SCHEMBL13834739 0.73 BRD4 (0.51) ATMPTGER4BRD4
SCHEMBL12630671 0.73 BRD4 (0.51) ATMPTGER4BRD4
SCHEMBL2035437 0.73 BRD4 (0.50) BRD4
SCHEMBL13834450 0.73 BRD4 (0.50) ATMPTGER4BRD4
SCHEMBL13835022 0.73 BRD4 (0.50) PTGER4BRD4

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY ATM 3624/4885PTGER4 1801/4885BRD4 702/4885

“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.