SCHEMBL2863342

SCHEMBL2863342

O=CC1=CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MAOA P21397 4/20 0.38
CES1 P23141 2/20 0.38
MAOB P27338 3/20 0.35
BCHE P06276 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 2/20 0.34
ACHE P22303 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MIF P14174 1/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL10590259 0.85 MAOA (0.48) HTR6MAOACES1MAOBBCHE
SCHEMBL7749803 0.81 CES1 (0.43) MAOACES1MAOBTDP1CYP2A6
SCHEMBL29648452 0.81 CES1 (0.43) MAOACES1MAOBTDP1CYP2A6
SCHEMBL27590862 0.80 HTR6 (0.37) HTR6MAOACES1MAOBBCHE
SCHEMBL11728305 0.80 HTR6 (0.37) HTR6MAOACES1MAOBBCHE
SCHEMBL7636832 0.80 ADRA1D (0.37) HTR6MAOACES1MAOBBCHE
SCHEMBL14672853 0.77 HTR6 (0.35) HTR6MAOACES1
SCHEMBL14672854 0.77 HTR6 (0.35) HTR6MAOACES1
SCHEMBL19750905 0.77 HTR6 (0.35) HTR6MAOACES1
SCHEMBL276262 0.76 MAOA (0.41) HTR6MAOACES1MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
US-12030896-B2 PIKfyve inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2024-07-09 US disclosed
CN-110099951-B Surface treated fillers for polyester films OMYA国际股份公司 2022-04-01 CN disclosed
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
CN-109369523-A A kind of Preparation method and use of tetrahydroisoquinoliderivs derivs 安阳师范学院 2019-02-22 CN disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-9993459-B2 Selective HDAC6 inhibitors and uses thereof UNIVERSITEIT GENT (BE) 2018-06-12 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360748-A1 SELECTIVE HDAC6 INHIBITORS AND USES THEREOF UNIVERSITEIT GENT (BE) 2017-12-21 US disclosed
US-4684735-A Promotion of raney nickel hydrogenation catalyst STAUFFER CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4650876-A INCREMENTAL ADDITION TO PREVENT FOAMING, RANEY CATALYST STAUFFER CHEMICAL COMPANY (US) 1987-03-17 US disclosed
EP-0210683-A1 Promotion of raney nickel catalyst STAUFFER CHEMICAL COMPANY (US) 1987-02-04 EP disclosed
US-4613691-A Preparation of amino acids from unsaturated hydantoins STAUFFER CHEMICAL COMPANY (US) 1986-09-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 US disclosed
EP-0177072-A2 Preparation of amino acids from unsaturated hydantoins STAUFFER CHEMICAL COMPANY (US) 1986-04-09 EP disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed
US-3987116-A ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF WILLIAM H. RORER, INC. (US) 1976-10-19 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 (5 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-12030896-B2 PIKfyve inhibitors PIKFYVE, PIP4K2B, PIP4K2A HTR6 4111/4885MAOA 4504/4885CES1 2547/4885
US-20170360748-A1 SELECTIVE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC5 HTR6 2012/4885MAOA 1686/4885CES1 3254/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 HTR6 3369/4885MAOA 4049/4885CES1 1867/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 HTR6 4195/4885MAOA 3677/4885CES1 2646/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 HTR6 4182/4885MAOA 953/4885CES1 3336/4885

“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.