SCHEMBL2029909

SCHEMBL2029909

O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 1.00
SCN2A Q99250 1/20 0.66
MGLL Q99685 8/20 0.62
FAAH O00519 4/20 0.62
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
HSP90AA1 P07900 2/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL30532190 1.00 HPN (1.00) HPNSCN2AMGLLFAAHLMNA
SCHEMBL12127316 0.84 HPN (0.72) HPNSCN2AMGLLFAAHHSP90AA1
SCHEMBL10587599 0.81 HPN (0.68) HPNSCN2AMGLLFAAHTSHR
SCHEMBL17044675 0.81 HPN (0.68) HPNSCN2AMGLLFAAHLMNA
SCHEMBL10854270 0.81 HPN (0.68) HPNSCN2ALMNATSHRMAPT
SCHEMBL11669113 0.79 SCN2A (1.00) HPNSCN2ALMNATSHRMAPT
SCHEMBL30758587 0.79 SCN2A (1.00) HPNSCN2ALMNATSHRMAPT
SCHEMBL6140131 0.78 HPN (0.64) HPNSCN2ALMNATSHRMAPT
SCHEMBL94730 0.78 MGLL (1.00) HPNMGLLFAAHHSP90AA1ALDH1A1
SCHEMBL1838889 0.78 MGLL (1.00) HPNMGLLFAAHHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724154-A Polysubstituted pyrrolo [3,4-d ] isoxazole derivative and synthetic method thereof 湖北科技学院 2020-01-24 CN claimed
CN-114432301-B Covalent inhibitor derivative and application thereof in treatment of viral infection 北京大学 2024-05-31 CN disclosed
CN-116802304-A Polynucleotides and methods for transferring resistance to asian soybean rust 先锋国际良种公司 2023-09-22 CN disclosed
CN-115826360-B Photosensitive polyimide composition, method for producing pattern, cured product, and electronic component 江苏艾森半导体材料股份有限公司 2023-09-12 CN 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
US-20220064195-A1 SYNTHETIC I2 IMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS UNIVERSITAT DE LES ILLES BALEARS (ES) 2022-03-03 US disclosed
CN-113563152-A Method for treating C five fraction and use of olefinic bond-containing compound 清华大学 2021-10-29 CN disclosed
EP-3897838-A1 <SUP2/>? <SUB2/>?2?SYNTHETIC IIMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS Universitat de Barcelona (ES) 2021-10-27 EP disclosed
CN-113136239-A Utilization method of ethylene cracking tar and application of compound containing carbon-carbon double bond 清华大学 2021-07-20 CN disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
US-5612432-A OPTICAL FILTERS FOR DISPLAY DEVICES AND SUBSTRATES FOR LIQUID CRYSTAL DISPLAY DEVICES AND OPTICAL LENSES TORAY INDUSTRIES, INC. (JP) 1997-03-18 US disclosed
EP-0503097-B1 OPTICAL SHEET MATERIAL TORAY INDUSTRIES (JP) 1996-03-13 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
EP-0503097-A1 OPTICAL SHEET MATERIAL TORAY INDUSTRIES, INC. (JP) 1992-09-16 EP disclosed
EP-0001997-B1 ELECTRON BEAM-CURABLE PHOTORESIST LACQUERS BAYER AG (DE) 1981-02-11 EP disclosed
EP-0001997-A1 Electron beam-curable photoresist lacquers BAYER AG (DE) 1979-05-30 EP disclosed
US-4111879-A RESIN AND AN N-ARYL-MALEIMIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1978-09-05 US disclosed
US-4110294-A POLYIMIDES CIBA-GEIGY CORPORATION (US) 1978-08-29 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-20220064195-A1 SYNTHETIC I2 IMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS CHRM1, GPR3, CHRM3 HPN 3700/4885SCN2A 1011/4885MGLL 3253/4885

“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.