SCHEMBL18354542

SCHEMBL18354542

Cc1nnc(NC(=O)c2cc3c(cc2F)COB3O)s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM1A O60341 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOA P21397 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18355019 0.87 LMNA (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL18354253 0.82 NPC1 (0.49) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL18360529 0.81 RAB9A (0.54) SMN1; SMN2ALDH1A1MEN1GAAALOX15
SCHEMBL18354547 0.80 NPC1 (0.57) SMN1; SMN2KDM1AALDH1A1MEN1GAA
SCHEMBL18360500 0.78 KDM4E (0.55) SMN1; SMN2ALDH1A1MEN1ALOX15TSHR
SCHEMBL18355017 0.76 KMT2A (0.51) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL18355014 0.76 KDM4E (0.41) SMN1; SMN2KDM1AALDH1A1MEN1GAA
SCHEMBL18354248 0.76 PPARG (0.46) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL18354114 0.75 CA1 (0.38) KMT2AMAPT
SCHEMBL18354525 0.72 CA1 (0.49) TP53

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 SMN1; SMN2 2375/4885KDM1A 451/4885ALDH1A1 1143/4885

“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.