SCHEMBL20518404

SCHEMBL20518404

COC1CCC(COc2cccc(Br)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.44
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL18706881 1.00 MAOB (0.44) MAOBTLR4TLR2SLC6A2SLC6A4
SCHEMBL30074482 0.89 MAOB (0.53) MAOBTLR4TLR2SMN1; SMN2KDM1A
SCHEMBL931640 0.89 MAOB (0.53) MAOBTLR4TLR2SMN1; SMN2KDM1A
SCHEMBL18707017 0.83 SLC6A2 (0.41) MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL16180720 0.83 MAOB (0.50) MAOBTLR4TLR2
SCHEMBL19399879 0.83 MAOB (0.50) MAOBTLR4TLR2
SCHEMBL18734265 0.82 RAB9A (0.54) MAOBTLR4TLR2SMN1; SMN2KDM1A
SCHEMBL20518442 0.82 RAB9A (0.54) MAOBTLR4TLR2SMN1; SMN2KDM1A
SCHEMBL18706982 0.82 RAB9A (0.54) MAOBTLR4TLR2SMN1; SMN2KDM1A
SCHEMBL2209407 0.81 TLR4 (0.52) MAOBTLR4TLR2

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-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 MAOB 1021/4885TLR4 3598/4885TLR2 2965/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 MAOB 1021/4885TLR4 3598/4885TLR2 2965/4885

“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.