SCHEMBL18360459

SCHEMBL18360459

O=C(NCCOc1ccccc1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
ROCK2 O75116 1/20 0.52
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
RECQL P46063 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL18360450 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL18360443 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL18360456 0.83 CA1 (0.62) NPC1RAB9ACA12CA1CA2
SCHEMBL16906829 0.81 CA1 (0.61) HPGDCA12CA1CA2CA4
SCHEMBL30616868 0.80 CA1 (0.67) RAB9AHPGDCA12CA1CA2
SCHEMBL18360541 0.80 CA1 (0.67) RAB9AHPGDCA12CA1CA2
SCHEMBL18360411 0.80 CA1 (0.57) CA12CA1CA2CA4CA9
SCHEMBL19608561 0.80 CA1 (0.54) NPC1RAB9ACA12CA1CA2
SCHEMBL30616854 0.80 CA1 (0.59) CA12CA1CA2CA4CA9
SCHEMBL18360504 0.79 CA1 (0.58) CA12CA1CA2CA4CA9

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 NPC1 1614/4885RAB9A 1828/4885SMN1; SMN2 2375/4885

“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.