SCHEMBL13377367

SCHEMBL13377367

Cc1csc2c(C)c(=O)n(C)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
KCNA3 P22001 1/20 0.35
ERCC5 P28715 2/20 0.33
FEN1 P39748 2/20 0.33
PDPK1 O15530 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
QPCT Q16769 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL13833764 0.70 GAA (0.36) BRD4KCNA3ERCC5FEN1PDPK1
SCHEMBL13377309 0.67 POLB (0.35) BRD4SMN1; SMN2QPCT
SCHEMBL23201571 0.66 BRD4 (0.41) BRD4BRD9BRD7
SCHEMBL13377326 0.66 CNOT7 (0.33) BRD4
SCHEMBL22729431 0.66 GPR35 (0.39) BRD4ERCC5FEN1
SCHEMBL13377395 0.63 KCNA3 (0.42) BRD4KCNA3SMN1; SMN2
SCHEMBL13377364 0.63 BRD4 (0.35) BRD4ERCC5FEN1BRD9BRD7
SCHEMBL14194611 0.63 BRD4 (0.45) BRD4BRD9BRD7
SCHEMBL13377335 0.63 BRD4 (0.33) BRD4BRD9BRD7
SCHEMBL13377347 0.62 BRD4 (0.32) BRD4

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 US disclosed
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 BRD4 370/4885KCNA3 501/4885ERCC5 255/4885

“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.