SCHEMBL309612

SCHEMBL309612

N#Cc1cc(F)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.55
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ FBP1 P09467 7/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL14247077 0.87 VCAM1 (0.51) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL29258675 0.87 VCAM1 (0.47) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL14247533 0.87 VCAM1 (0.47) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL1675905 0.84 VCAM1 (0.44) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL28471119 0.79 VCAM1 (0.40) VCAM1MEN1KMT2AKAT2B
SCHEMBL31434332 0.79 VCAM1 (0.40) VCAM1MEN1KMT2AKAT2B
SCHEMBL31750678 0.79 VCAM1 (0.59) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL29258438 0.78 VCAM1 (0.39) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL10876444 0.77 VCAM1 (0.63) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25186726 0.76 VCAM1 (0.56) VCAM1MEN1KMT2AGRIN2DGRIN3B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218189-B Abelide intermediate and simple preparation method of Abelide 新发药业有限公司 2020-10-30 — — CN claimed
EP-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 — — EP disclosed
EP-4650353-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-11-19 — — EP disclosed
EP-4619098-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-09-24 — — EP disclosed
EP-4615573-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-09-17 — — EP disclosed
CN-119462516-A Compound of formula I, preparation method and application thereof, and preparation method of Abeli intermediate compound A 广东莱佛士制药技术有限公司 2025-02-18 — — CN disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 — — WO disclosed
US-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-10-17 — — US disclosed
WO-2024149080-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2024-07-18 — — WO disclosed
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 — — CN disclosed
WO-2022246019-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2022-11-24 — — WO disclosed
CN-114716423-A 5, 6-dihydro-1, 2, 4-triazines and their pharmaceutical use as GLP-1 receptor agonists 中国科学院上海药物研究所 2022-07-08 — — CN disclosed
CN-110218189-B Abelide intermediate and simple preparation method of Abelide 新发药业有限公司 2020-10-30 — — CN disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 — — US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 — — EP disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 — — EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 — — US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 — — WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 — — WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 — — 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 (3 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-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS GLP1R, GCGR, GIPR VCAM1 2840/4885MEN1 1223/4885KMT2A 2068/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP VCAM1 1412/4885MEN1 2484/4885KMT2A 2307/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP VCAM1 1920/4885MEN1 2176/4885KMT2A 2212/4885

“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.

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