SCHEMBL18360458

SCHEMBL18360458

O=C(NCc1ccc2c(c1)OCCO2)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
MMP13 P45452 1/20 0.53
NPC1 O15118 2/20 0.52
HSP90AA1 P07900 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL30616853 0.89 CA1 (0.59) CA12CA1CA2CA4CA9
SCHEMBL18360466 0.84 ALDH1A1 (0.49) ALDH1A1RAB9AHPGDHSD17B10MEN1
SCHEMBL18360448 0.84 MEN1 (0.49) ALDH1A1RAB9AHPGDHSD17B10MEN1
SCHEMBL18354729 0.83 NPC1 (0.58) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL16863676 0.82 CA1 (0.55) RAB9AMEN1KMT2ACA12CA1
SCHEMBL30616868 0.82 CA1 (0.67) RAB9AHPGDHSD17B10CA12CA1
SCHEMBL18360541 0.82 CA1 (0.67) RAB9AHPGDHSD17B10CA12CA1
SCHEMBL30616863 0.79 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL18360416 0.79 NPC1 (0.52) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL18360507 0.79 CA1 (0.53) HPGDMEN1KMT2ALMNANPC1

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 ALDH1A1 1143/4885RAB9A 1828/4885HPGD 2939/4885

“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.