SCHEMBL2233005

SCHEMBL2233005

Cc1nc2c(CN(C)C)c(O)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 1.00
GRIN2B Q13224 9/20 0.64
ALDH1A1 P00352 3/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PARP1 P09874 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
Bromide SCHEMBL8994861 0.98 ADRB2 (0.97) ADRB2GRIN2BALDH1A1PKMKDM4E
Hydrochloric Acid SCHEMBL2535761 0.98 ADRB2 (0.97) ADRB2GRIN2BALDH1A1PKMKDM4E
Hydrochloric Acid SCHEMBL8994860 0.76 ADRB2 (0.61) ADRB2GRIN2BALDH1A1PKMKDM4E
SCHEMBL2233013 0.75 ADRB2 (0.60) ADRB2GRIN2BALDH1A1PKMKDM4E
SCHEMBL6657865 0.74 ADRB2 (0.58) ADRB2GRIN2BALDH1A1KDM4ETDP1
SCHEMBL6509697 0.74 ADRB2 (0.58) ADRB2GRIN2BALDH1A1KDM4ETDP1
Bromide SCHEMBL8994873 0.74 ADRB2 (0.58) ADRB2GRIN2BALDH1A1PKMKDM4E
Hydrochloric Acid SCHEMBL2535765 0.74 ADRB2 (0.58) ADRB2GRIN2BALDH1A1PKMKDM4E
SCHEMBL25610496 0.72 ADRB2 (0.56) ADRB2GRIN2BALDH1A1PKMKDM4E
SCHEMBL8264509 0.72 GRIN2B (0.69) ADRB2GRIN2BALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259732-A1 Treatment of plants and plant propagation materials with an antioxidant to improve plant health and/or yield MONSANTO TECHNOLOGY, L.L.C. 2004-12-23 US claimed
WO-2004095926-A2 TREATMENT OF PLANTS AND PLANT PROPAGATION MATERIALS WITH AN ANTIOXIDANT TO IMPROVE PLANT HEALTH AND/OR YIELD MONSANTO TECHNOLOGY, LLC (US) 2004-11-11 WO claimed
US-20250388630-A1 FUSION PROTEINS, RECOMBINANT BACTERIA, AND METHODS FOR USING RECOMBINANT BACTERIA SPOGEN BIOTECH INC (US) 2025-12-25 US disclosed
US-12391729-B2 Fusion proteins, recombinant bacteria, and methods for using recombinant bacteria SPOGEN BIOTECH INC. (US) 2025-08-19 US disclosed
US-20240199709-A1 FUSION PROTEINS, RECOMBINANT BACTERIA, AND METHODS FOR USING RECOMBINANT BACTERIA SPOGEN BIOTECH INC (US) 2024-06-20 US disclosed
US-11834466-B2 Benzoxaborole compounds and formulations thereof 5METIS, INC. (US) 2023-12-05 US disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
US-20200385409-A1 BENZOXABOROLE COMPOUNDS AND FORMULATIONS THEREOF Boragen, Inc. 2020-12-10 US disclosed
EP-3716766-A1 BENZOXABOROLE COMPOUNDS AND FORMULATIONS THEREOF Boragen, Inc. (US) 2020-10-07 EP disclosed
CN-111655035-A Benzoxaborole compounds and formulations thereof 博瑞金股份有限公司 2020-09-11 CN disclosed
US-20190159457-A1 Combinatorial Compositions of Benzoxaboroles and Biologic Agents 5METIS, INC. 2019-05-30 US disclosed
WO-2010040623-A1 PESTICIDAL COMBINATIONS CONTAINING SULFOXAFLOR SYNGENTA PARTICIPATIONS AG (CH) 2010-04-15 WO disclosed
EP-2101576-A1 PESTICIDAL COMBINATIONS Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2008086948-A1 PESTICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-07-24 WO disclosed
US-20080125319-A1 Treatment of plants and plant propagation materials with an antioxidant to improve plant health and/or yield MONSANTO TECHNOLOGY, LLC (US) 2008-05-29 US disclosed
US-20050079977-A1 Liquid composition for promoting plant growth, which includes nano-particle titanium dioxide CHOI, KWANG-SOO (KR) 2005-04-14 US disclosed
US-20040259732-A1 Treatment of plants and plant propagation materials with an antioxidant to improve plant health and/or yield MONSANTO TECHNOLOGY, L.L.C. 2004-12-23 US disclosed
WO-2004095926-A2 TREATMENT OF PLANTS AND PLANT PROPAGATION MATERIALS WITH AN ANTIOXIDANT TO IMPROVE PLANT HEALTH AND/OR YIELD MONSANTO TECHNOLOGY, LLC (US) 2004-11-11 WO disclosed
EP-1465492-A1 THE LIQUID COMPOSITION FOR PROMOTING PLANT GROWTH, WHICH INCLUDES NANO-PARTICLE TITANIUM DIOXIDE CHOI, Kwang-Soo (KR) 2004-10-13 EP disclosed
WO-2003059070-A1 THE LIQUID COMPOSITION FOR PROMOTING PLANT GROWTH, WHICH INCLUDES NANO-PARTICLE TITANIUM DIOXIDE CHOI KWANG-SOO (KR) 2003-07-24 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 (4 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-20200385409-A1 BENZOXABOROLE COMPOUNDS AND FORMULATIONS THEREOF SSB, NONO, LRBA ADRB2 2961/4885GRIN2B 645/4885ALDH1A1 4598/4885
US-11834466-B2 Benzoxaborole compounds and formulations thereof SSB, NONO, LRBA ADRB2 2961/4885GRIN2B 645/4885ALDH1A1 4598/4885
US-20190159457-A1 Combinatorial Compositions of Benzoxaboroles and Biologic Agents TARS2, FARS2, TARBP1 ADRB2 4735/4885GRIN2B 957/4885ALDH1A1 3614/4885
US-20250388630-A1 FUSION PROTEINS, RECOMBINANT BACTERIA, AND METHODS FOR USING RECOMBINANT BACTERIA MAX, SEC62, GHITM ADRB2 4567/4885GRIN2B 3507/4885ALDH1A1 4885/4885

“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.