SCHEMBL18354547

SCHEMBL18354547

Cc1nnc(NC(=O)c2ccc3c(c2)B(O)OC3)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA4 P22748 1/20 0.52
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KDM1A O60341 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL18355039 0.81 MAPT (0.59) NPC1RAB9AMAPTSMN1; SMN2CA1
SCHEMBL18360463 0.81 RAB9A (0.60) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18354542 0.80 SMN1; SMN2 (0.51) NPC1RAB9AMAPTSMN1; SMN2TDP1
SCHEMBL18355019 0.80 LMNA (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL18360552 0.78 KDM4E (0.53) NPC1RAB9AMAPTSMN1; SMN2CA1
SCHEMBL24459619 0.76 CA1 (0.68) CA1CA2CA12CA9CA4
SCHEMBL18355042 0.76 POLB (0.53) NPC1RAB9AMAPTSMN1; SMN2CA1
SCHEMBL18360546 0.75 CA1 (0.56) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL18360553 0.75 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL20607833 0.75 CA1 (0.70) CA1CA2CA12CA9CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed
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 1828/4885MAPT 2010/4885

“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.