SCHEMBL731243

SCHEMBL731243

COC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTSA P10619 2/20 0.56
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL9692214 0.88 CTSA (0.55) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
Potassium Ion SCHEMBL9694225 0.88 CTSA (0.55) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL7814676 0.88 CTSA (0.57) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL9046952 0.87 CTSA (0.50) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL10482199 0.87 CTSA (0.52) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL7846224 0.87 CTSA (0.55) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
Water SCHEMBL9693984 0.87 CTSA (0.54) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL9692224 0.86 CTSA (0.56) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
SCHEMBL9694228 0.86 CTSA (0.56) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2
Ammonia Solution, Strong SCHEMBL9694122 0.86 CTSA (0.52) ALDH1A1SMN1; SMN2CTSANPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249707-B1 PICOLINIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP claimed
US-4832729-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US claimed
EP-0249707-A1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP claimed
JP-64000084-A None JP disclosed
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-8318637-B2 Herbicide/azole combination BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-5516750-A FOR PESTICIDES AND HERBICIDES IN CROP PLANTS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-14 US disclosed
EP-0596899-A1 NEW MIXTURES OF HERBICIDES AND ANTIDOTES. HOECHST AG (DE) 1994-05-18 EP disclosed
WO-1993000010-A1 NEW MIXTURES OF HERBICIDES AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 WO disclosed
EP-0521407-A1 New mixtures of herbicides and antidotes Hoechst Schering AgrEvo GmbH (DE) 1993-01-07 EP disclosed
EP-0249707-B1 PICOLINIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP disclosed
US-4931087-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-06-05 US disclosed
US-4832729-A Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-23 US disclosed
JP-S6484-A PICOLINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1989-01-05 JP disclosed
EP-0249707-A1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 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 (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-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 ALDH1A1 1326/4885SMN1; SMN2 4330/4885CTSA 102/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER ALDH1A1 2487/4885SMN1; SMN2 4473/4885CTSA 1071/4885

“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.