SCHEMBL18360466

SCHEMBL18360466

O=C(NCc1ccc2c(c1)OCCO2)c1cc2c(cc1F)COB2O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 5/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
CRHBP P24387 1/20 0.47
RECQL P46063 1/20 0.47
CRHR2 Q13324 1/20 0.47
TSHR P16473 2/20 0.44
HPGD P15428 4/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL18360448 0.88 MEN1 (0.49) ALDH1A1LMNATSHRHPGDPKM
SCHEMBL18360458 0.84 ALDH1A1 (0.64) ALDH1A1LMNANPC1TSHRHPGD
SCHEMBL18354110 0.84 NPC1 (0.53) ALDH1A1LMNANPC1HTTTP53
SCHEMBL18360483 0.83 CA1 (0.60) KMT2AHSD17B10CA12CA1CA2
SCHEMBL18360537 0.80 CA1 (0.47) LMNANPC1TP53HPGDMEN1
SCHEMBL18360490 0.80 PDE4A (0.47) ALDH1A1TSHRHPGDKMT2ARAB9A
SCHEMBL18360476 0.80 LMNA (0.46) LMNAMEN1KMT2AHSD17B10CA12
SCHEMBL18360471 0.79 PDE4A (0.52) CA12CA1CA2CA9
SCHEMBL18360404 0.79 CA1 (0.41) CA12CA1CA2CA9
SCHEMBL18360444 0.78 NPSR1 (0.49) ALDH1A1LMNAHTTRECQLTSHR

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 1143/4885LMNA 2058/4885NPC1 1614/4885

“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.