SCHEMBL13377309

SCHEMBL13377309

Cc1c(=O)n(C)cc2ccsc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PDE7A Q13946 4/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 3/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
QPCT Q16769 1/20 0.31
CYP2A6 P11509 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7B Q9NP56 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
SCHEMBL13377364 0.70 BRD4 (0.35) GAABRD4ALDH1A1PKML3MBTL1
SCHEMBL13377335 0.70 BRD4 (0.33) PDE7ABRD4PKM
SCHEMBL14194611 0.70 BRD4 (0.45) GAAADORA2AADORA1BRD4ALDH1A1
SCHEMBL13061921 0.69 BRD9 (0.43) POLBPDE7AMEN1KMT2ABRD4
SCHEMBL22302193 0.69 BRD4 (0.37) ADORA2AADORA1BRD4L3MBTL1
SCHEMBL13377367 0.67 BRD4 (0.35) BRD4SMN1; SMN2QPCT
SCHEMBL22504296 0.66 CYP2A6 (0.34) ADORA2AADORA1SMN1; SMN2CYP2A6
SCHEMBL13377336 0.66 RAB9A (0.34) GAAALDH1A1SMN1; SMN2PKMHTT
SCHEMBL13377326 0.66 CNOT7 (0.33) BRD4
SCHEMBL13377389 0.65 BRD4 (0.49) GAAKMT2ABRD4PKMCYP2A6

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 POLB 739/4885PDE7A 3913/4885GAA 4367/4885

“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.