SCHEMBL18360446

SCHEMBL18360446

O=C(NCc1ccc(-n2cccn2)cc1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
EGLN1 Q9GZT9 2/20 0.45
SCN9A Q15858 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
PI4KB Q9UBF8 1/20 0.42
KLKB1 P03952 1/20 0.41
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
ADAM10 O14672 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL18360525 0.89 TNKS (0.46) TNKSPARP1TNKS2EGLN1SCN9A
SCHEMBL18360417 0.86 KLKB1 (0.51) TNKSPARP1TNKS2CA1CA2
SCHEMBL18360397 0.82 CA1 (0.60) CA1CA2CA12CA9
SCHEMBL18360472 0.79 HTT (0.51) CA1CA2CA12CA9MAPK1
SCHEMBL18360482 0.78 PDE4A (0.52) CA1CA2CA12CA9
SCHEMBL18360484 0.78 CA1 (0.43) CA1CA2CA12CA9
SCHEMBL18360535 0.78 PDE4A (0.47) CA1CA2CA12CA9MEN1
SCHEMBL18360445 0.78 CA1 (0.49) CA1CA2CA12CA9MEN1
SCHEMBL18360442 0.77 CA1 (0.45) CA1CA2CA12CA9MEN1
SCHEMBL18360448 0.75 MEN1 (0.49) MMP13MEN1ALOX15MAPK1APOBEC3A

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-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 TNKS 4503/4885PARP1 4450/4885TNKS2 4344/4885

“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.