SCHEMBL2233013

SCHEMBL2233013

Cc1nc2ccc(O)c(CN(C)C)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.42
TYMS P04818 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 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 SCHEMBL8994873 0.98 ADRB2 (0.58) ADRB2KDM4EMAPTTDP1GRIN2B
Hydrochloric Acid SCHEMBL2535765 0.98 ADRB2 (0.58) ADRB2KDM4EMAPTTDP1GRIN2B
Hydrochloric Acid SCHEMBL8994876 0.76 ADRB2 (0.43) ADRB2KDM4EMAPTTDP1GRIN2B
SCHEMBL2233005 0.75 ADRB2 (1.00) ADRB2KDM4EMAPTTDP1GRIN2B
SCHEMBL6657867 0.74 PDE3B (0.45) ADRB2KDM4EMAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL2535761 0.74 ADRB2 (0.97) ADRB2KDM4EMAPTTDP1GRIN2B
Bromide SCHEMBL8994861 0.74 ADRB2 (0.97) ADRB2KDM4EMAPTTDP1GRIN2B
SCHEMBL28171197 0.71 TYMS (0.38) ADRB2KDM4EMAPTTDP1ALDH1A1
SCHEMBL13383928 0.71 ALDH1A1 (0.48) KDM4EMAPTTDP1ALDH1A1PKM
SCHEMBL4624598 0.69 KDM4E (0.51) ADRB2KDM4EMAPTTDP1GRIN2B

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 31 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-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
US-20170079277-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2017-03-23 US disclosed
US-20150366216-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-12-24 US disclosed
US-9149044-B2 Pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2015-10-06 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 (3 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 2961/4885KDM4E 2034/4885MAPT 3919/4885
US-11834466-B2 Benzoxaborole compounds and formulations thereof SSB, NONO, LRBA ADRB2 2961/4885KDM4E 2034/4885MAPT 3919/4885
US-20190159457-A1 Combinatorial Compositions of Benzoxaboroles and Biologic Agents TARS2, FARS2, TARBP1 ADRB2 4735/4885KDM4E 1325/4885MAPT 3465/4885

“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.