SCHEMBL18360407

SCHEMBL18360407

O=C(NCc1ccco1)c1cc2c(cc1F)COB2O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
HPGD P15428 8/20 0.55
POLB P06746 6/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL18360483 0.83 CA1 (0.60) CA1CA2SMN1; SMN2HSD17B10ALOX15
SCHEMBL18360523 0.82 HPGD (0.48) CA1CA2HPGDMAPTALDH1A1
SCHEMBL18354759 0.80 CA1 (0.47) CA1CA2POLBMAPTALDH1A1
SCHEMBL18360537 0.79 CA1 (0.47) CA1CA2HPGDPOLBMAPT
SCHEMBL18354779 0.78 PTGES (0.47) CA1CA2HPGDHTT
SCHEMBL18360444 0.78 NPSR1 (0.49) CA1CA2HPGDALDH1A1HTT
SCHEMBL18360471 0.77 PDE4A (0.52) CA1CA2
SCHEMBL18360485 0.77 CA1 (0.56) CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL18360490 0.77 PDE4A (0.47) CA1CA2HPGDPOLBMAPT
SCHEMBL18360487 0.76 CA1 (0.42) CA1CA2

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 CA1 3964/4885CA2 1649/4885HPGD 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.