SCHEMBL20501067

SCHEMBL20501067

Cc1ccn(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
HPN P05981 1/20 0.49
TSHR P16473 2/20 0.49
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
ABHD16A O95870 1/20 0.47
POLB P06746 1/20 0.47
SCN2A Q99250 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL30923148 1.00 HTT (0.68) HTTKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL11465754 0.82 KEAP1 (0.50) HTTKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL29218271 0.82 KEAP1 (0.50) HTTKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL19456984 0.81 HTT (1.00) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL14412226 0.80 RAB9A (0.59) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL19657952 0.78 KEAP1 (0.56) KEAP1NFE2L2ALDH1A1MEN1MAPT
SCHEMBL28287787 0.78 HPN (0.49) HTTKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL16062208 0.78 TP53 (0.49) KEAP1NFE2L2ALDH1A1MEN1MAPT
SCHEMBL21876434 0.78 KEAP1 (0.67) KEAP1NFE2L2ALDH1A1MEN1MAPT
SCHEMBL16055914 0.76 HTT (0.59) HTTKEAP1NFE2L2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637011-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-05-14 CN disclosed
EP-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 EP disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
US-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2021-09-30 US disclosed
US-10961198-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-03-30 US disclosed
US-10927082-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-02-23 US disclosed
US-20200290973-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-30 US disclosed
CN-110637011-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2019-12-31 CN disclosed
WO-2018170166-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 (5 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-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HTT 4474/4885KEAP1 621/4885NFE2L2 2167/4885
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HTT 4474/4885KEAP1 621/4885NFE2L2 2167/4885
US-20200290973-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HTT 4474/4885KEAP1 621/4885NFE2L2 2167/4885
US-10961198-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HTT 4474/4885KEAP1 621/4885NFE2L2 2167/4885
US-10927082-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HTT 4474/4885KEAP1 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.