SCHEMBL18360460

SCHEMBL18360460

O=C(NCCc1cccs1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
NAMPT P43490 2/20 0.52
ROCK2 O75116 1/20 0.52
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
CA4 P22748 2/20 0.51
CYP1A2 P05177 2/20 0.50
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL18360398 0.84 NPC1 (0.52) NPC1RAB9ALMNASMN1; SMN2TAAR1
SCHEMBL18360403 0.84 NPC1 (0.47) NPC1RAB9ALMNASMN1; SMN2TAAR1
SCHEMBL18360456 0.83 CA1 (0.62) NPC1RAB9ACA12CA1CA2
SCHEMBL18360504 0.81 CA1 (0.58) CA12CA1CA2CA9CA4
SCHEMBL16906829 0.81 CA1 (0.61) CA12CA1CA2CA9CA4
SCHEMBL30616854 0.80 CA1 (0.59) CA12CA1CA2CA9CA4
SCHEMBL23133059 0.78 CA1 (0.57) SMN1; SMN2NAMPTCA12CA1CA2
SCHEMBL18360411 0.78 CA1 (0.57) CA12CA1CA2CA9CA4
SCHEMBL19608561 0.78 CA1 (0.54) NPC1RAB9ACA12CA1CA2
SCHEMBL19608562 0.77 CA1 (0.59) CA12CA1CA2CA9CA4

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 1828/4885LMNA 2058/4885

“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.