SCHEMBL892616

SCHEMBL892616

FC(F)(F)c1cncc(OBOc2cncc(C(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
TLR8 Q9NR97 1/20 0.34
DAO P14920 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
SLC22A11 Q9NSA0 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15495692 0.85 TLR8 (0.36) CYP11B1CYP11B2TLR8DAOSMN1; SMN2
SCHEMBL2202031 0.78 CYP11B1 (0.49) CYP11B1CYP11B2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL521971 0.76 IDO1 (0.40) TLR8
SCHEMBL3749196 0.75 CYP11B1 (0.43) CYP11B1CYP11B2DAOCYP3A4CYP2C9
SCHEMBL29718750 0.73 TLR8 (0.36) CYP11B1CYP11B2TLR8DAOSMN1; SMN2
SCHEMBL19879597 0.73 MAPK1 (0.47) CYP11B1CYP11B2L3MBTL1
SCHEMBL19055348 0.73 CYP3A4 (0.48) CYP11B1CYP11B2TLR8CYP3A4
SCHEMBL28782435 0.73 TLR8 (0.36) CYP11B1CYP11B2TLR8DAOSMN1; SMN2
SCHEMBL1865390 0.72 HCAR2 (0.38) CYP11B1CYP11B2CYP3A4
SCHEMBL20554634 0.72 TLR8 (0.40) TLR8DAOSMN1; SMN2CYP3A4

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 CYP11B1 823/4885CYP11B2 1164/4885TLR8 4812/4885

“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.