Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL20743531

COC(=O)C[n+]1ccc(-c2ncccn2)cn1.[Br-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ APOBEC3G Q9HC16 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TBXAS1 P24557 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL20753267 0.99 ALDH1A1 (0.40) ALDH1A1KDM4EAPOBEC3GMEN1USP2
SCHEMBL20753588 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EAPOBEC3GMEN1USP2
SCHEMBL22350875 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20753533 0.82 CYP2A6 (0.33) LMNAPKMCYP2A6
Trifluoroacetic Acid SCHEMBL22345280 0.81 ALDH1A1 (0.32) ALDH1A1KDM4EAPOBEC3GMEN1USP2
SCHEMBL24001099 0.80 CYP2A6 (0.36) ALDH1A1KDM4EAPOBEC3GMEN1APOBEC3A
SCHEMBL21431927 0.80 AOC3 (0.37) ALDH1A1KDM4EAPOBEC3GMEN1USP2
SCHEMBL20753603 0.79 CYP2D6 (0.38) ALDH1A1KDM4EAPOBEC3GMEN1USP2
SCHEMBL24001088 0.77 KDR (0.32) ALDH1A1SMN1; SMN2CLK4
SCHEMBL20753525 0.77 PKM (0.45) ALDH1A1KDM4EKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453554-B herbicidal composition 先正达农作物保护股份公司 2023-09-05 — — CN disclosed
CN-111032640-B Herbicidal compounds 先正达参股股份有限公司 2023-08-08 — — CN disclosed
EP-3923724-B1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-26 — — EP disclosed
US-11618743-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-04-04 — — US disclosed
US-20220192195-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 — — US disclosed
US-20220159956-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 — — US disclosed
US-20220142162-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-05-12 — — US disclosed
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
US-20220125052-A1 Herbicidal Compositions SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
US-20220095618-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-03-31 — — US disclosed
US-20210009561-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-14 — — US disclosed
WO-2020164922-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164924-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164925-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164923-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164920-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
EP-3668855-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-06-24 — — EP disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 — — CN disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — 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 (8 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-20210009561-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 ALDH1A1 32/4885KDM4E 1194/4885APOBEC3G 2059/4885
US-20220142162-A1 HERBICIDAL COMPOSITIONS PPOX, DDT, HPD ALDH1A1 521/4885KDM4E 1290/4885APOBEC3G 1823/4885
US-20220159956-A1 HERBICIDAL COMPOSITIONS DDT, HPD, DHFR ALDH1A1 136/4885KDM4E 573/4885APOBEC3G 1858/4885
US-20220095618-A1 HERBICIDAL COMPOSITIONS HPD, HACL2, AADAC ALDH1A1 92/4885KDM4E 2595/4885APOBEC3G 2705/4885
US-11618743-B2 Herbicidal compounds DDT, ACHE, GSTO1 ALDH1A1 32/4885KDM4E 1194/4885APOBEC3G 2059/4885
US-20220125052-A1 Herbicidal Compositions DDT, HPD, DHFR ALDH1A1 298/4885KDM4E 373/4885APOBEC3G 1612/4885
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD GMDS, TREH, DAD1 ALDH1A1 514/4885KDM4E 2838/4885APOBEC3G 1613/4885
US-20220192195-A1 HERBICIDAL COMPOSITIONS GLO1, LCT, HACL2 ALDH1A1 238/4885KDM4E 1515/4885APOBEC3G 1375/4885

“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.