SCHEMBL20439734

SCHEMBL20439734

O=S(=O)(Oc1ccc2c(n1)CN(Cc1ccccc1)CC2)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
PNMT P11086 1/20 0.42
DHFR P00374 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
C5AR1 P21730 1/20 0.39
CLPP Q16740 3/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL5800386 0.91 KMT2A (0.50) MEN1KMT2ANPC1RAB9AOPRM1
SCHEMBL19042312 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9AOPRM1
SCHEMBL30474092 0.79 MEN1 (0.50) MEN1KMT2ANPC1RAB9AOPRM1
SCHEMBL22165423 0.77 MEN1 (0.39) MEN1KMT2ANPC1RAB9AOPRM1
SCHEMBL3384809 0.76 HRH3 (0.61) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL16217181 0.74 PNMT (0.56) MEN1KMT2ANPC1RAB9APNMT
SCHEMBL30474228 0.74 PNMT (0.56) MEN1KMT2ANPC1RAB9APNMT
SCHEMBL1105716 0.74 ACHE (0.41) MEN1KMT2APNMTC5AR1DRD4
SCHEMBL16217183 0.73 MEN1 (0.54) MEN1KMT2ANPC1RAB9APNMT
SCHEMBL16220548 0.73 KMT2A (0.54) MEN1KMT2ANPC1RAB9APNMT

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-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 US disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO 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-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 MEN1 4598/4885KMT2A 1194/4885NPC1 499/4885

“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.