SCHEMBL1095492

SCHEMBL1095492

Cn1ccc(-c2ccccc2O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ IDO1 P14902 2/20 0.46
▸ CASP6 P55212 1/20 0.44
▸ NT5E P21589 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
Hydrochloric Acid SCHEMBL30549511 0.98 KMT2A (0.53) KMT2AIDO1CASP6NT5EKEAP1
SCHEMBL6312157 0.85 KMT2A (0.44) KMT2AIDO1CASP6NT5EKEAP1
SCHEMBL16964095 0.83 KMT2A (0.43) KMT2AIDO1CASP6NT5EKEAP1
SCHEMBL28066996 0.82 IDO1 (0.43) KMT2AIDO1NT5EKDM4ASMARCA2
SCHEMBL3319361 0.79 KMT2A (0.40) KMT2ACASP6KEAP1
SCHEMBL29767299 0.79 KMT2A (0.55) KMT2AIDO1KEAP1ADRA1DADRA1A
SCHEMBL16574032 0.79 KMT2A (0.55) KMT2AIDO1KEAP1ADRA1DADRA1A
SCHEMBL2277762 0.78 KMT2A (0.53) KMT2AIDO1CASP6KEAP1ADRA1D
SCHEMBL9383732 0.78 KMT2A (0.53) KMT2AIDO1KEAP1ADRA1DADRA1A
SCHEMBL31128114 0.78 KMT2A (0.53) KMT2AIDO1CASP6KEAP1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925104-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-03-05 — — US disclosed
CN-109280063-B Organometallic compound and organic light emitting device including the same 三星显示有限公司 2023-12-12 — — CN disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 — — US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2022-10-11 — — US disclosed
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-09-30 — — US disclosed
CN-105315319-B Hepatitis C virus inhibitor and application thereof 南京圣和药业股份有限公司 2020-11-20 — — CN disclosed
EP-3431482-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2020-09-02 — — EP disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 — — EP disclosed
US-20190027699-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-24 — — US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 — — US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 — — WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 — — WO disclosed
EP-1487813-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-08-30 — — EP disclosed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 — — US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 — — US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 — — US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 — — CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 — — EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 — — 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 (9 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 KMT2A 3314/4885IDO1 3477/4885CASP6 3429/4885
US-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 KMT2A 3262/4885IDO1 1006/4885CASP6 4629/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 KMT2A 3460/4885IDO1 560/4885CASP6 4741/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 KMT2A 1048/4885IDO1 4006/4885CASP6 2481/4885
US-11925104-B2 Organometallic compound and organic light-emitting device including the same LEF1, GPX1, ODC1 KMT2A 837/4885IDO1 659/4885CASP6 3029/4885
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof NOTUM, ALKBH5, PAH KMT2A 3328/4885IDO1 1111/4885CASP6 2108/4885
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF NOTUM, ALKBH5, PAH KMT2A 3328/4885IDO1 1111/4885CASP6 2108/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 KMT2A 1048/4885IDO1 4006/4885CASP6 2481/4885
US-20190027699-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, GPX1, ODC1 KMT2A 837/4885IDO1 659/4885CASP6 3029/4885

“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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