SCHEMBL3276405

SCHEMBL3276405

CCCOc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
LTA4H P09960 1/20 0.52
MMP2 P08253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 5/20 0.50
CYP2A6 P11509 1/20 0.50
MAOB P27338 1/20 0.50
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49
MMP3 P08254 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MMP1 P03956 1/20 0.47

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
SCHEMBL923901 0.94 LTA4H (0.61) ALDH1A1MAPTLTA4HMMP2KDM4E
SCHEMBL12736275 0.94 MMP2 (0.60) ALDH1A1MAPTMMP2KDM4EHPGD
SCHEMBL2462665 0.94 MMP2 (0.60) ALDH1A1MAPTMMP2KDM4EHPGD
SCHEMBL4942100 0.91 ALDH1A1 (0.59) ALDH1A1MAPTLTA4HMMP2KDM4E
Benzene SCHEMBL27950709 0.88 LTA4H (0.60) ALDH1A1MAPTLTA4HMMP2KDM4E
SCHEMBL8521292 0.88 ALDH1A1 (0.65) ALDH1A1MAPTLTA4HKDM4EHPGD
SCHEMBL10570506 0.88 TSHR (0.61) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL10568786 0.86 TSHR (0.64) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL7986752 0.86 ALDH1A1 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL8939343 0.86 ALDH1A1 (0.63) ALDH1A1MMP2KDM4EHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861069-B Preparation method of nitrile compound 陕西国际商贸学院 2023-06-16 CN claimed
CN-109776443-B Oxadiazole compound with antioxidant effect and preparation method thereof 上海万巷制药有限公司 2022-09-27 CN claimed
EP-2477509-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-07-30 EP claimed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
CN-114773597-B Microporous frame polymer and preparation method thereof, microporous frame polymer membrane and application thereof in fast charge flow battery 中国科学技术大学 2024-02-09 CN disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed
US-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP 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 (2 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-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885MAPT 1125/4885LTA4H 744/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885MAPT 1125/4885LTA4H 744/4885

“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.