SCHEMBL732099

SCHEMBL732099

COc1cc(OC)nc(Oc2cccnc2C(=O)OCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.54
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL9693873 0.90 NPSR1 (0.53) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL9693378 0.89 CTSA (0.52) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL9692112 0.89 CTSA (0.49) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL8380211 0.88 L3MBTL1 (0.44) CTSAALDH1A1L3MBTL1TSHRCASP3
SCHEMBL7846224 0.86 CTSA (0.55) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL9693462 0.85 CTSA (0.57) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL10482041 0.84 CTSA (0.51) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL9193808 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL731243 0.83 ALDH1A1 (0.56) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL9694300 0.83 CTSA (0.52) CTSAALDH1A1SMN1; SMN2NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569944-B1 Synergistic herbicide combination HOECHST SCHERING AGREVO GMBH (DE) 1999-03-31 EP claimed
EP-0891709-A2 Synergistic herbicide combination Hoechst Schering AgrEvo GmbH (DE) 1999-01-20 EP claimed
US-5622910-A CROP PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-22 US claimed
EP-0569944-A2 Synergistic herbicide combination Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP claimed
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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
US-5461019-A Mixture of dicamba and at least one of imazaquin, imazethapyr and imazethamethapyr HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-24 US disclosed
EP-0569944-A2 Synergistic herbicide combination Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed
EP-0521407-A1 New mixtures of herbicides and antidotes Hoechst Schering AgrEvo GmbH (DE) 1993-01-07 EP disclosed
WO-1993000010-A1 NEW MIXTURES OF HERBICIDES AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 WO 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
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 (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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 CTSA 184/4885ALDH1A1 857/4885SMN1; SMN2 3339/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CTSA 102/4885ALDH1A1 1326/4885SMN1; SMN2 4330/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER CTSA 1071/4885ALDH1A1 2487/4885SMN1; SMN2 4473/4885

“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.