SCHEMBL3354708

SCHEMBL3354708

O=C1Cc2cc[c]cc2O1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33

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
SCHEMBL3358107 0.84 MAOA (0.36) MAOAMAOB
SCHEMBL3357339 0.82 TSHR (0.37) MAOB
SCHEMBL15062681 0.76 MAOA (0.45) MAOAMAOB
SCHEMBL195110 0.74 MAOA (0.65) MAOAMAOB
SCHEMBL3998995 0.73 CYP1A2 (0.35) MAOAMAOB
Water SCHEMBL28306910 0.72 MAOA (0.62) MAOAMAOB
SCHEMBL965211 0.72 — —
SCHEMBL11194900 0.72 GAA (0.33) —
SCHEMBL3352688 0.71 TSHR (0.37) MAOB
SCHEMBL44758 0.70 MAOA (0.65) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 — — US claimed
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 — — US claimed
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 — — US claimed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 — — EP disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 — — EP disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 — — US disclosed
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 — — 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-110066277-B Aromatic heterocyclic substituted olefin compound, preparation method, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2021-07-23 — — CN disclosed
WO-2021124222-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 — — WO disclosed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 — — US disclosed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 — — US disclosed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 — — US disclosed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 — — US disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 — — US disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 — — US disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 — — EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS — 1995-08-10 — — WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 — — 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 MAOA 4275/4885MAOB 4621/4885
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP MAOA 3489/4885MAOB 2625/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP MAOA 3489/4885MAOB 2625/4885
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 MAOA 333/4885MAOB 271/4885
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, NOTUM, WEE1 MAOA 1811/4885MAOB 2060/4885
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof NOTUM, ALKBH5, PAH MAOA 980/4885MAOB 1063/4885
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF NOTUM, ALKBH5, PAH MAOA 980/4885MAOB 1063/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP MAOA 3489/4885MAOB 2625/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 MAOA 1811/4885MAOB 2060/4885

“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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