SCHEMBL2146237

SCHEMBL2146237

O=C1C=CC(=O)N1c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 1.00
MGLL Q99685 15/20 0.59
FAAH O00519 7/20 0.59
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL29510752 1.00 HSP90AA1 (1.00) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL719070 0.94 HSP90AA1 (0.89) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL723972 0.94 HSP90AA1 (0.89) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL10411648 0.94 HSP90AA1 (0.89) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL19512050 0.91 HSP90AA1 (0.83) HSP90AA1MGLLFAAHPKM
SCHEMBL2928275 0.89 HSP90AA1 (0.80) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL29405415 0.81 HSP90AA1 (0.70) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL6396877 0.79 HSP90AA1 (0.65) HSP90AA1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL22862086 0.78 HSP90AA1 (0.63) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL5769318 0.78 HSP90AA1 (0.63) HSP90AA1ALDH1A1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317174-B Hydrogen barrier agent, composition for forming hydrogen barrier film, method for producing hydrogen barrier film, and electronic device 东京应化工业株式会社 2024-10-22 CN disclosed
CN-114432301-B Covalent inhibitor derivative and application thereof in treatment of viral infection 北京大学 2024-05-31 CN disclosed
WO-2024053579-A1 PHOTOSENSITIVE RESIN COMPOSITION 東京応化工業株式会社 2024-03-14 WO disclosed
CN-117590696-A Photosensitive resin composition 东京应化工业株式会社 2024-02-23 CN disclosed
CN-116741789-A Optical element for fingerprint authentication 东京应化工业株式会社 2023-09-12 CN disclosed
US-20220389308-A1 WAVELENGTH CONVERSION FILM, WAVELENGTH CONVERSION FILM FORMING COMPOSITION, AND CLUSTER-CONTAINING QUANTUM DOT PRODUCTION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2022-12-08 US disclosed
EP-3998324-A1 WAVELENGTH CONVERSION FILM, WAVELENGTH CONVERSION FILM FORMING COMPOSITION, AND CLUSTER-CONTAINING QUANTUM DOT PRODUCTION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2022-05-18 EP disclosed
CN-113136239-B Utilization method of ethylene cracking tar and application of compound containing carbon-carbon double bond 清华大学 2022-05-13 CN disclosed
CN-114432301-A Covalent inhibitor derivative and application thereof in treating virus infection 北京大学 2022-05-06 CN disclosed
CN-114127228-A Wavelength conversion film, composition for forming wavelength conversion film, and method for producing cluster-containing quantum dot 东京应化工业株式会社 2022-03-01 CN disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
US-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-01-31 US disclosed
WO-2011085281-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-07-14 WO disclosed
EP-1722781-A2 MALEIIMIDE ANTI-TUMOR PHOSPHATASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-22 EP disclosed
EP-1697328-A1 PYRAZOLINOLS USED AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-09-06 EP disclosed
WO-2005081972-A2 MALEIIMIDE ANTI-TUMOR PHOSPHATASE INHIBITORS GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-09 WO disclosed
WO-2005058838-A1 PYRAZOLINOLS USED AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed
US-4427820-A STYRENE, MALEIC ACID DERIVATIVE, EMULSION POLYMERIZATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-24 US disclosed
US-4127617-A GRAFT POLYMER OF STYRENE-ACRYLONITRILE-A MALEIMIDE ON ETHYLENE-PROPYLENE-DIENE TERPOLYMER ANIC, S.P.A. (IT) 1978-11-28 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 (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-20130025495-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF MEP1A, MACF1, CYP1B1 HSP90AA1 1123/4885MGLL 1404/4885FAAH 2247/4885
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 HSP90AA1 206/4885MGLL 1681/4885FAAH 401/4885

“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.