SCHEMBL12745083

SCHEMBL12745083

CC(=O)NC1CCc2cc(C(=S)NC[Si](C)(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PAX8 Q06710 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 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
SCHEMBL15559644 0.91 CA12 (0.40) CA12CA7CA14CA1CA2
SCHEMBL12745082 0.88 CA12 (0.52) CA12CA7CA14CA1CA2
SCHEMBL12745304 0.85 BDKRB1 (0.40) CA12CA7CA14CA1CA2
SCHEMBL15516490 0.79 PDE4A (0.43) CA12CA7CA14CA1CA2
SCHEMBL2575691 0.79 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL10588697 0.76 CA12 (0.56) CA12CA7CA14CA1CA2
SCHEMBL1465997 0.75 GCGR (0.38)
SCHEMBL12745106 0.75 CA12 (0.47) CA12CA7CA14CA1CA2
SCHEMBL12745302 0.74 PDE4A (0.41) CA12CA7CA14CA1CA2
SCHEMBL10586238 0.72 CA1 (0.64) CA12CA7CA14CA1CA2

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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 CA12 4333/4885CA7 2749/4885CA14 2942/4885

“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.