SCHEMBL18354540

SCHEMBL18354540

Cc1cc(=O)oc2cc(NC(=O)c3cc4c(cc3F)COB4O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.63
RAB9A P51151 11/20 0.63
CTDSP1 Q9GZU7 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
CA12 O43570 5/20 0.51
CA9 Q16790 5/20 0.51
CA1 P00915 3/20 0.51
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 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
SCHEMBL18355010 0.89 NPC1 (0.61) NPC1RAB9ACTDSP1TDP1CA12
SCHEMBL18355036 0.83 CA1 (0.58) NPC1RAB9ACTDSP1CA12CA9
SCHEMBL18354525 0.76 CA1 (0.49) CA12CA9CA1POLB
SCHEMBL18360489 0.75 CA1 (0.51) NPC1RAB9ACA12CA9CA1
SCHEMBL18354248 0.74 PPARG (0.46) NPC1RAB9ACA12CA9CA1
SCHEMBL18360548 0.73 CYP2C19 (0.54) NPC1RAB9ACA12CA9CA1
SCHEMBL16384041 0.73 NPC1 (0.80) NPC1RAB9ACTDSP1TDP1CA12
SCHEMBL18360493 0.72 CA1 (0.47) CA12CA9CA1
SCHEMBL18355011 0.71 CA1 (0.46) CA12CA9CA1POLBTSHR
SCHEMBL18354785 0.71 NPC1 (0.47) NPC1RAB9ACA12CA9CA1

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 1828/4885CTDSP1 3220/4885

“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.