SCHEMBL1610360

SCHEMBL1610360

N#Cc1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMO Q99835 1/20 0.35
PGR P06401 3/20 0.32
CYP2C9 P11712 1/20 0.32
BACE1 P56817 7/20 0.31
APP P05067 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
BACE2 Q9Y5Z0 2/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL1611793 0.91 TEAD1 (0.35) CYP11B1CYP11B2SMOPGRCYP2C9
SCHEMBL30016435 0.89 BACE1 (0.35) CYP11B1CYP11B2PGRCYP2C9BACE1
SCHEMBL718167 0.89 BACE1 (0.35) CYP11B1CYP11B2PGRCYP2C9BACE1
SCHEMBL4751161 0.88 BACE1 (0.36) CYP11B1CYP11B2PGRCYP2C9BACE1
SCHEMBL3978545 0.88 BACE1 (0.36) CYP11B1CYP11B2PGRCYP2C9BACE1
SCHEMBL1609370 0.83 PDE3B (0.33)
SCHEMBL1612165 0.83 GABRP (0.35) PGRBACE1APP
SCHEMBL3114036 0.81 CYP11B2 (0.43) CYP11B1CYP11B2
SCHEMBL1610695 0.81 HTT (0.39)
SCHEMBL3978566 0.80 GRM2 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 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 (2 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS CYP11B1 967/4885CYP11B2 1225/4885SMO 3844/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA CYP11B1 1440/4885CYP11B2 1499/4885SMO 2472/4885

“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.