Sugi Predict

Sugi Predict / Compounds / SCHEMBL7086145

SCHEMBL7086145

SCHEMBL7086145

O=[N+]([O-])c1cc(Br)c(F)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ GLA P06280 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ TSHR P16473 2/20 0.44
▸ ESPL1 Q14674 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL29974850 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL2383502 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL432390 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL20973734 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL30148598 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL31226497 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL429659 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL31618848 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL657768 0.82 ERN1 (0.46) ALDH1A1CYP3A4GLACYP19A1TSHR
SCHEMBL30991193 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4GLACYP19A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617769-B2 Chemical compound as thyroid hormone beta receptor agonist and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2026-05-05 — — US disclosed
WO-2025044897-A1 CYCLIC 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海有机化学研究所 2025-03-06 — — WO disclosed
WO-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术（上海）有限公司 2024-12-26 — — WO disclosed
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FUKANG SHANGHAI HEALTH TECH CO LTD (CN) 2024-03-14 — — US disclosed
EP-4303217-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2024-01-10 — — EP disclosed
CN-117209472-A KIF18A inhibitors 武汉人福创新药物研发中心有限公司 2023-12-12 — — CN disclosed
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
CN-116113251-A Light-emitting device including heterocyclic compound, electronic apparatus, and heterocyclic compound 三星显示有限公司 2023-05-12 — — CN disclosed
CN-112094248-B Substituted benzothiazole compound and application thereof 中国人民解放军海军军医大学 2023-05-12 — — CN disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
EP-2872514-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-05-20 — — EP disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 — — US disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
WO-2014206150-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 — — WO disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 — — US disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 — — EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 — — 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 (6 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-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 ALDH1A1 2258/4885CYP3A4 2078/4885GLA 4405/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 ALDH1A1 2258/4885CYP3A4 2078/4885GLA 4405/4885
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND CRY1, CYP1A1, NQO1 ALDH1A1 31/4885CYP3A4 21/4885GLA 1231/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 ALDH1A1 2258/4885CYP3A4 2078/4885GLA 4405/4885
US-12617769-B2 Chemical compound as thyroid hormone beta receptor agonist and use thereof THRB, TSHR, THRA ALDH1A1 1340/4885CYP3A4 718/4885GLA 3734/4885
US-20240083860-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SLC10A1, GOT1, CYP46A1 ALDH1A1 354/4885CYP3A4 272/4885GLA 3101/4885

“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.