SCHEMBL29558653

SCHEMBL29558653

CNc1ccc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 5/20 0.38
HCAR3 P49019 1/20 0.38
HTT P42858 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL16750263 1.00 MEN1 (0.43) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL16831143 0.81 PTGER4 (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL22032212 0.81 KMT2A (0.50) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL16738942 0.81 PTGER4 (0.38) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL16831434 0.81 PTGER4 (0.58) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6142555 0.80 TDP1 (0.48) KMT2AALDH1A1TDP1MAPTHCAR3
SCHEMBL16739001 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21713321 0.79 MAPT (0.47) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27972981 0.79 ALDH1A1 (0.38) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL2463690 0.78 GRIN2D (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119173511-A Benzotriazole compounds 第一三共株式会社 2024-12-20 CN disclosed
CN-118206566-A Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-06-18 CN disclosed
CN-114507181-B Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
CN-113474349-B Hydroxypyridooxazepine as NRF2 activator 葛兰素史密斯克莱知识产权发展有限公司 2024-03-01 CN disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
CN-114507181-A Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN disclosed
CN-110114361-B NRF2 compound 葛兰素史密斯克莱知识产权发展有限公司 2022-04-12 CN 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-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 MEN1 3616/4885KMT2A 2318/4885GRIN2D 2132/4885

“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.