SCHEMBL18360455

SCHEMBL18360455

O=C(NCc1cccnc1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
BLM P54132 1/20 0.57
ROCK2 O75116 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
GAA P10253 1/20 0.51
NAMPT P43490 3/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL30616868 0.86 CA1 (0.67) CA2CA12CA1CA9CA4
SCHEMBL18360541 0.86 CA1 (0.67) CA2CA12CA1CA9CA4
SCHEMBL18360444 0.84 NPSR1 (0.49) CYP1A2CYP3A4TSHRBLMROCK2
SCHEMBL18360472 0.84 HTT (0.51) CYP1A2CYP3A4TSHRBLML3MBTL1
SCHEMBL30616853 0.84 CA1 (0.59) CA2CA12CA1CA9CA4
SCHEMBL18360511 0.82 CA1 (0.49) L3MBTL1CA2CA12CA1CA9
SCHEMBL18360507 0.81 CA1 (0.53) TSHRROCK2LMNACA2CA12
SCHEMBL30616858 0.80 CA12 (0.47) CA2CA12CA1CA9CA4
SCHEMBL16863676 0.80 CA1 (0.55) CYP1A2ROCK2CYP2C19CA2CA12
SCHEMBL18360509 0.79 ROCK2 (0.53) CYP1A2CYP3A4BLMROCK2L3MBTL1

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 CYP1A2 7/4885CYP3A4 15/4885TSHR 4175/4885

“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.