SCHEMBL29675331

SCHEMBL29675331

CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(Br)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 14/20 0.67
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL31314045 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL30353026 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL2575008 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL29631407 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL13286074 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL2573202 1.00 SLC9A3 (0.67) SLC9A3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6501908 0.99 SLC9A3 (0.65) SLC9A3
Formic Acid SCHEMBL30353024 0.93 SLC9A3 (0.62) SLC9A3
SCHEMBL30435654 0.90 SLC9A3 (0.57) SLC9A3SLC6A2SLC6A4SLC6A3
SCHEMBL30435872 0.89 SLC9A3 (0.54) SLC9A3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN disclosed
CN-119390714-A Methods and compounds 雷迪厄斯制药公司 2025-02-07 CN disclosed
CN-113348163-B Methods and compounds 雷迪厄斯制药公司 2024-10-08 CN disclosed
CN-114901663-B Aromatic heterocyclic compounds and application thereof in medicines 上海喆邺生物科技有限公司 2024-07-02 CN disclosed
CN-114845997-B Aromatic compound and application thereof in preparation of antitumor drugs 上海喆邺生物科技有限公司 2024-03-29 CN disclosed
CN-115052870-B Aromatic compound and application thereof in antitumor drugs 上海喆邺生物科技有限公司 2024-02-20 CN disclosed
CN-116969848-A Preparation method of intermediate of drug for treating advanced breast cancer 北京康立生医药技术开发有限公司 2023-10-31 CN disclosed
EP-4194452-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-06-14 EP disclosed
US-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
CN-115052870-A Aromatic compound and application thereof in antitumor drugs 上海喆邺生物科技有限公司 2022-09-13 CN disclosed
CN-114901663-A Heteroaromatic compound and application thereof in medicines 上海喆邺生物科技有限公司 2022-08-12 CN disclosed
CN-114845997-A Aromatic compound and application thereof in preparation of antitumor drugs 上海喆邺生物科技有限公司 2022-08-02 CN disclosed
CN-114585624-A Chiral intermediate and preparation method thereof 上海喆邺生物科技有限公司 2022-06-03 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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 SLC9A3 3367/4885SLC6A2 782/4885SLC6A4 1011/4885

“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.