SCHEMBL20502000

SCHEMBL20502000

Cc1nnn(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPN P05981 1/20 0.48
TSHR P16473 2/20 0.47
ACHE P22303 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ABHD16A O95870 1/20 0.46
LMNA P02545 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46
SCN2A Q99250 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL720456 0.81 HTT (0.51) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL21876439 0.77 MAPT (0.49) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL4699508 0.75 GRM5 (0.64)
SCHEMBL2627226 0.74 SCN2A (0.57) KEAP1NFE2L2MEN1MAPTKMT2A
SCHEMBL30782027 0.74 SCN2A (0.57) KEAP1NFE2L2MEN1MAPTKMT2A
SCHEMBL8025848 0.74 HPN (0.51) SMN1; SMN2KEAP1NFE2L2MEN1MAPT
SCHEMBL21876434 0.73 KEAP1 (0.67) SMN1; SMN2KEAP1NFE2L2MEN1MAPT
SCHEMBL4604204 0.73 SMN1; SMN2 (0.59) SMN1; SMN2KEAP1NFE2L2MEN1MAPT
SCHEMBL31051672 0.73 ABCG2 (0.59) SMN1; SMN2KEAP1NFE2L2MEN1MAPT
SCHEMBL21876425 0.73 MAPT (0.49) SMN1; SMN2MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
WO-2018170173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 SMN1; SMN2 4590/4885KEAP1 621/4885NFE2L2 2167/4885

“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.