SCHEMBL8308624

SCHEMBL8308624

Cc1cccc2c1Sc1ccccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX5 P09917 1/20 0.43
ACHE P22303 3/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
MAOA P21397 2/20 0.38
BCHE P06276 4/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 4/20 0.36
NOX1 Q9Y5S8 2/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL8051363 0.93
SCHEMBL3419815 0.93 MEN1 (0.47) MEN1KMT2AALOX5ACHETSHR
SCHEMBL3423172 0.90 CA1 (0.43) MEN1KMT2AALOX5ACHETSHR
SCHEMBL3423894 0.84 MEN1 (0.37) MEN1KMT2AALOX5ACHECA1
SCHEMBL3423176 0.84 MEN1 (0.37) MEN1KMT2AALOX5ACHECA1
SCHEMBL3422316 0.82 MEN1 (0.43) MEN1KMT2AALOX5ACHETSHR
O-Xylene SCHEMBL28671014 0.82 ACHE (0.62) MEN1KMT2AACHETSHRCA1
SCHEMBL9804804 0.79 ALOX5 (0.38) MEN1KMT2AALOX5ACHETSHR
SCHEMBL18267880 0.78 MEN1 (0.43) MEN1KMT2AALOX5TSHRGPR84
SCHEMBL19765303 0.77 ALOX5 (0.57) MEN1KMT2AALOX5GPR84MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS UCHICAGO ARGONNE, LLC 2017-03-02 US claimed
US-11890296-B2 Anti-tumor agent containing cytarabine, anti- tumor effect enhancing agent which is used in combination with cytarabine, anti-tumor kit, and anti-tumor agent which is used in combination with cytarabine FUJIFILM CORPORATION (JP) 2024-02-06 US disclosed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO disclosed
US-11795387-B2 Metal-assisted delayed fluorescent materials as co-host materials for fluorescent OLEDs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-24 US disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
US-11217758-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-04 US disclosed
EP-3858361-A1 ANTITUMOR AGENT CONTAINING CYTARABINE, ANTITUMOR EFFECT ENHANCER USED IN COMBINATION WITH CYTARABINE, ANTITUMOR KIT, AND ANTITUMOR AGENT USED IN COMBINATION WITH CYTARABINE FUJIFILM Corporation (JP) 2021-08-04 EP disclosed
US-20210213040-A1 ANTI-TUMOR AGENT CONTAINING CYTARABINE, ANTI-TUMOR EFFECT ENHANCING AGENT WHICH IS USED IN COMBINATION WITH CYTARABINE, ANTI-TUMOR KIT, AND ANTI-TUMOR AGENT WHICH IS USED IN COMBINATION WITH CYTARABINE FUJIFILM CORPORATION (JP) 2021-07-15 US disclosed
US-20210135128-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2021-05-06 US disclosed
US-10937971-B2 Organic monomolecular white light material, manufacturing method for the same, and OLED element SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2021-03-02 US disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20070272920-A1 Metal quinolate, in particular lithium quinolate, and an electroluminescent organometallic thianthrene ligand complex; displays in video displays, mobile telephones, portable computers MERCK PATENT GMBH (DE) 2007-11-29 US disclosed
US-20070099186-A1 Methods and means for the treatment of disorders associated with cellular senescence KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-03 US disclosed
US-20070099186-A1 Methods and means for the treatment of disorders associated with cellular senescence KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-03 US disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO disclosed
US-4190609-A USING A LEWIS ACID CATALYST AND A THIANTHRENE COCATA6YST HOOKER CHEMICALS & PLASTICS CORP. (US) 1980-02-26 US disclosed
US-4069263-A Process for directed chlorination of alkylbenzenes HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 US disclosed
US-4069264-A CHLORINE, LEWIS ACID CATALYST, THIANTHRENE COMPOUND AS CO-CATALYST HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 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 (8 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-20170062842-A1 TWO-ELECTRON REDOX ACTIVE MOLECULES WITH HIGH CAPACITY AND ENERGY DENSITY FOR ENERGY STORAGE APPLICATIONS CYP11B1, CYP11B2, ESR2 MEN1 4003/4885KMT2A 2147/4885ALOX5 1244/4885
US-10937971-B2 Organic monomolecular white light material, manufacturing method for the same, and OLED element NLRP3, NLRP1, OCIAD1 MEN1 2544/4885KMT2A 1622/4885ALOX5 243/4885
US-11890296-B2 Anti-tumor agent containing cytarabine, anti- tumor effect enhancing agent which is used in combination with cytarabine, anti-tumor kit, and anti-tumor agent which is used in combination with cytarabine DHODH, DPYD, DCTD MEN1 4227/4885KMT2A 1119/4885ALOX5 693/4885
US-20080280910-A1 PHTHALAZINONE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA, NCOA4 MEN1 413/4885KMT2A 2206/4885ALOX5 1794/4885
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha TNF, PDE4A, PDE3B MEN1 4114/4885KMT2A 4315/4885ALOX5 371/4885
US-20070272920-A1 Metal quinolate, in particular lithium quinolate, and an electroluminescent organometallic thianthrene ligand complex; displays in video displays, mobile telephones, portable computers TRPM7, TRPM5, OXA1L MEN1 204/4885KMT2A 2529/4885ALOX5 2348/4885
US-20210213040-A1 ANTI-TUMOR AGENT CONTAINING CYTARABINE, ANTI-TUMOR EFFECT ENHANCING AGENT WHICH IS USED IN COMBINATION WITH CYTARABINE, ANTI-TUMOR KIT, AND ANTI-TUMOR AGENT WHICH IS USED IN COMBINATION WITH CYTARABINE DHODH, DPYD, DCTD MEN1 4227/4885KMT2A 1119/4885ALOX5 693/4885
US-20070099186-A1 Methods and means for the treatment of disorders associated with cellular senescence RAD1, TP53, CHEK2 MEN1 1799/4885KMT2A 2675/4885ALOX5 3963/4885

“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.