SCHEMBL217557

SCHEMBL217557

BrCCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2D6 P10635 2/20 0.50
▸ MTNR1A P48039 2/20 0.49
▸ NQO2 P16083 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACP3 P15309 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ SLC18A2 Q05940 1/20 0.45
▸ DAO P14920 1/20 0.45

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
SCHEMBL29756497 1.00 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
Fluoride SCHEMBL27772173 0.98 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL27350086 0.89 CDYL (0.52) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL11797323 0.88 HPRT1 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
Acetic Acid SCHEMBL27857297 0.87 TDP1 (0.56) CYP1A2MTNR1ANQO2TDP1ACP3
SCHEMBL79742 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3047898 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6680287 0.85 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6679058 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6686054 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771684-B Ink composition for manufacturing organic semiconductor device 株式会社大赛璐 2024-07-12 — — CN claimed
CN-103319485-B 6-(beta-alkylnaphthy)mercaptopurine compound, and synthesis method and application thereof JILIN BIAODA TECHNOLOGY CO LTD 2015-05-27 — — CN claimed
CN-104447515-A New intermediates for preparing ceritinib and preparation method of intermediate 2Y CHEM LTD 2015-03-25 — — CN claimed
CN-103319485-A 6-(beta-alkylnaphthy)mercaptopurine compound, and synthesis method and application thereof JILIN BIAODA TECHNOLOGY CO LTD 2013-09-25 — — CN claimed
CN-103087707-A Fluorescent chemical sensor and preparation method and application thereof UNIV JIANGSU TECHNOLOGY 2013-05-08 — — CN claimed
CN-101481360-A Sulfur-bearing photo-curing compound and preparation thereof UNIV ZHONGSHAN (CN) 2009-07-15 — — CN claimed
CN-1245805-A Method for preparing substituted piperidine-epoxide HOFFMANN LA ROCHE (CH) 2000-03-01 — — CN claimed
US-4492798-A CARBONYLATION OF ARLALKYL HALIDE WITH CARBON MONOXIDE IN THE PRESE ETHYL CORPORATION (US) 1985-01-08 — — US claimed
US-20260085093-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2026-03-26 — — US disclosed
US-20260078147-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2026-03-19 — — US disclosed
US-12479887-B2 Inhibitors for protein n-terminal methyltransferase and uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-11-25 — — US disclosed
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 — — EP disclosed
CN-112771684-B Ink composition for manufacturing organic semiconductor device 株式会社大赛璐 2024-07-12 — — CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 — — CN disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 — — US disclosed
US-4182902-A P-(P'-CHLOROBENZYL) PHENOXYACETIC ACID SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-01-08 — — US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 — — EP disclosed
US-4153803-A Cholesterol-lowering phenoxyalkanoic acid esters SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-05-08 — — US disclosed
US-4133830-A RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD STAUFFER CHEMICAL COMPANY (US) 1979-01-09 — — US disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 — — 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-20260085093-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF GNMT, PRMT5, INMT CYP1A2 3577/4885CYP2C19 3481/4885CYP2C9 2416/4885
US-12479887-B2 Inhibitors for protein n-terminal methyltransferase and uses thereof GNMT, PRMT1, PRMT5 CYP1A2 4604/4885CYP2C19 4838/4885CYP2C9 4750/4885
US-20260078147-A1 INHIBITORS FOR PROTEIN N-TERMINAL METHYLTRANSFERASE AND USES THEREOF SMYD2, INMT, PRMT6 CYP1A2 3777/4885CYP2C19 3349/4885CYP2C9 3394/4885

“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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