SCHEMBL2323409

SCHEMBL2323409

N#Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
KIF11 P52732 2/20 0.48
AR P10275 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MMP2 P08253 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GPR3 P46089 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL12500157 0.86 SLC6A2 (0.52) ARALDH1A1MAPTKDM4ELMNA
SCHEMBL498377 0.84 ALDH1A1 (0.56) MAOBALDH1A1MAPTKDM4ELMNA
SCHEMBL506251 0.84 MAOB (0.46) MAOBKIF11ARALDH1A1MAPT
SCHEMBL12298013 0.82 MAOB (0.44) MAOBKIF11ARALDH1A1MAPT
SCHEMBL8422629 0.81 HTT (0.45) MAOBKIF11ARALDH1A1MAPT
SCHEMBL28301421 0.80 TBXAS1 (0.46) ALDH1A1MAPTGPR3
SCHEMBL28263549 0.79 MAOB (0.48) MAOBKIF11ARALDH1A1MAPT
SCHEMBL7062918 0.79 MAOB (0.48) MAOBKIF11ARALDH1A1MAPT
SCHEMBL25801726 0.79 MGAT2 (0.51) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL9146549 0.78 MAPT (0.43) MAOBKIF11ARALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677723-B 5-HT2A receptor antagonists and their use for treating central nervous system disorders 瀚远医药有限公司 2024-06-04 CN disclosed
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
CN-115677723-A 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2023-02-03 CN disclosed
CN-113214289-B 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2022-10-28 CN disclosed
EP-4058147-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd (JP) 2022-09-21 EP disclosed
CN-114829351-A Novel antimalarial agents containing heterocyclic compounds 卫材R&D管理有限公司 2022-07-29 CN disclosed
CN-113214289-A 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2021-08-06 CN disclosed
WO-2021147818-A1 5-HT2A RECEPTOR ANTAGONIST AND APPLICATION THEREOF IN TREATING CENTRAL NERVOUS SYSTEM DISEASES 瀚远医药有限公司 2021-07-29 WO disclosed
WO-2021149692-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-07-29 WO disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0354297-A1 Thiadiazines, process for production thereof, and insecticidal and acaricidal agents comprising the thiadiazines MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-14 EP disclosed
US-4837364-A REACTION OF HALOBENZENE WITH TRIFLUOROETHANOL RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-06-06 US disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP disclosed
US-3994907-A Coumarin derivatives, their preparation and their use as optical brightening agents PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-11-30 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 (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-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND QDPR, DHODH, THPO MAOB 1815/4885KIF11 2725/4885AR 4830/4885

“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.