SCHEMBL18355014

SCHEMBL18355014

Cc1cc(NC(=O)c2cc3c(cc2F)COB3O)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
CA12 O43570 9/20 0.38
CA9 Q16790 9/20 0.38
KDM1A O60341 1/20 0.37
CA4 P22748 5/20 0.36
PDE3A Q14432 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18354524 0.87 MEN1 (0.40) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL18360553 0.80 CA1 (0.53) CA1CA2CA12CA9KDM1A
SCHEMBL18354114 0.77 CA1 (0.38) LMNACA1CA2CA12CA9
SCHEMBL18354253 0.77 NPC1 (0.49) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL18354542 0.76 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1KDM1AKMT2A
SCHEMBL18354248 0.76 PPARG (0.46) KDM4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL18360516 0.73 CA1 (0.41) CA1CA2CA12CA9CA4
SCHEMBL18360529 0.73 RAB9A (0.54) KDM4EHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL18354525 0.72 CA1 (0.49) LMNACA1CA2CA12CA9
SCHEMBL18355011 0.72 CA1 (0.46) CA1CA2CA12CA9

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 KDM4E 992/4885HTT 3892/4885SMN1; 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.