SCHEMBL18354544

SCHEMBL18354544

O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc2c(cc1F)COB2O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
DGAT1 O75907 1/20 0.48
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL18354537 0.89 HTR2C (0.48) HTR2CGAAPKMPDE4BPDE4A
SCHEMBL18354734 0.84 CA12 (0.55) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL18360471 0.75 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL18360489 0.75 CA1 (0.51)
SCHEMBL18360450 0.75 NPC1 (0.47) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL18360493 0.73 CA1 (0.47)
SCHEMBL18354525 0.73 CA1 (0.49)
SCHEMBL18354785 0.72 NPC1 (0.47) MEN1KMT2A
SCHEMBL18355013 0.72 MEN1 (0.54) MEN1KMT2A
SCHEMBL18354248 0.72 PPARG (0.46) KMT2A

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 HTR2C 4169/4885DGAT1 3399/4885GAA 194/4885

“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.