SCHEMBL2338995

SCHEMBL2338995

CC(C)C(C)(NC(=O)c1ncc(CCl)cc1C(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL10583284 0.91 CNR2 (0.35) CNR2KDM4EALDH1A1
SCHEMBL19884277 0.91 CNR2 (0.36) CNR2KDM4EALDH1A1
SCHEMBL10410155 0.90 CNR2 (0.37) CNR2KDM4EALDH1A1
SCHEMBL20180706 0.88 CNR2 (0.38) CNR2KDM4EALDH1A1
SCHEMBL19884297 0.86 CNR2 (0.31) CNR2
SCHEMBL9218122 0.86 F2 (0.35) CNR2KDM4EALDH1A1
SCHEMBL10410349 0.83 CNR2 (0.36) CNR2KDM4EALDH1A1
SCHEMBL2381480 0.81 ANO1 (0.38) CNR2KDM4EALDH1A1
SCHEMBL9192173 0.81 KDM4E (0.37) CNR2KDM4EALDH1A1
SCHEMBL10410420 0.80 CNR2 (0.38) CNR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278977-B2 Process for manufacturing 5-chloromethyl-2,3-pyridine dicarboxylic acid anhydrides BASF SE (DE) 2016-03-08 US disclosed
US-9278977-B2 Process for manufacturing 5-chloromethyl-2,3-pyridine dicarboxylic acid anhydrides BASF SE (DE) 2016-03-08 US disclosed
US-20140206873-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides BASF SE (DE) 2014-07-24 US disclosed
US-20140206873-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides BASF SE (DE) 2014-07-24 US disclosed
US-8722893-B2 Process for manufacturing 5-chloromethyl-2,3-pyridine dicarboxylic acid anhydrides BASF SE (DE) 2014-05-13 US disclosed
US-8722893-B2 Process for manufacturing 5-chloromethyl-2,3-pyridine dicarboxylic acid anhydrides BASF SE (DE) 2014-05-13 US disclosed
US-8629279-B2 Process for manufacturing 5-formyl-pyridine-2,3-dicarboxylic acid esters BASF SE (DE) 2014-01-14 US disclosed
US-8629279-B2 Process for manufacturing 5-formyl-pyridine-2,3-dicarboxylic acid esters BASF SE (DE) 2014-01-14 US disclosed
US-8563734-B2 2-[1-cyanopropyl)carbamoyl]-5-chloromethyl nicotinic acids and the use thereof in manufacturing herbicidal imidazolinones BASF SE (DE) 2013-10-22 US disclosed
US-8563734-B2 2-[1-cyanopropyl)carbamoyl]-5-chloromethyl nicotinic acids and the use thereof in manufacturing herbicidal imidazolinones BASF SE (DE) 2013-10-22 US disclosed
EP-2370410-A1 2-[(1-CYANOPROPYL)CARBAMOYL]-5-CHLOROMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES BASF SE (DE) 2011-10-05 EP disclosed
US-20110224439-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides BASF SE (DE) 2011-09-15 US disclosed
US-20110224439-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides BASF SE (DE) 2011-09-15 US disclosed
US-20110224439-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides BASF SE (DE) 2011-09-15 US disclosed
US-20110218340-A1 2-[1-Cyanopropyl)Carbamoyl]-5-Chloromethyl Nicotinic Acids and the Use Thereof in Manufacturing Herbicidal Imidazolinones BASF SE (DE) 2011-09-08 US disclosed
US-20110218340-A1 2-[1-Cyanopropyl)Carbamoyl]-5-Chloromethyl Nicotinic Acids and the Use Thereof in Manufacturing Herbicidal Imidazolinones BASF SE (DE) 2011-09-08 US disclosed
US-20110218340-A1 2-[1-Cyanopropyl)Carbamoyl]-5-Chloromethyl Nicotinic Acids and the Use Thereof in Manufacturing Herbicidal Imidazolinones BASF SE (DE) 2011-09-08 US disclosed
EP-2358678-A1 PROCESS FOR MANUFACTURING 5-CHLOROMETHYL-2,3-PYRIDINE DICARBOXYLIC ACID ANHYDRIDES BASF SE (DE) 2011-08-24 EP disclosed
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0322616-A2 Novel 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and nivel intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1989-07-05 EP 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-20110218340-A1 2-[1-Cyanopropyl)Carbamoyl]-5-Chloromethyl Nicotinic Acids and the Use Thereof in Manufacturing Herbicidal Imidazolinones CHRM1, CBR3, IDH1 CNR2 719/4885KDM4E 1614/4885ALDH1A1 510/4885
US-20140206873-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides DDT, CYP2E1, CBR1 CNR2 1797/4885KDM4E 197/4885ALDH1A1 407/4885
US-20110224439-A1 Process for Manufacturing 5-Chloromethyl-2,3-Pyridine Dicarboxylic Acid Anhydrides DDT, CYP2E1, CBR1 CNR2 1797/4885KDM4E 197/4885ALDH1A1 407/4885

“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.