SCHEMBL910148

SCHEMBL910148

COc1nc(Cl)cc2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nn12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL909656 0.91 TSHR (0.36) TSHRFFAR4PTGS2ALDH1A1LMNA
SCHEMBL7074184 0.89 TSHR (0.34) TSHRFFAR4MAPK1KMT2A
SCHEMBL9534360 0.85 TSHR (0.36) TSHRFFAR4PTGS2ALDH1A1LMNA
SCHEMBL7850191 0.85 FFAR4 (0.40) TSHRFFAR4PTGS2ALDH1A1MEN1
SCHEMBL8335333 0.84 TSHR (0.32) TSHRFFAR4PTGS2ALDH1A1LMNA
SCHEMBL8848901 0.80 LMNA (0.34) ALDH1A1LMNAHTTHPGD
SCHEMBL8901312 0.80 PTGS2 (0.34) TSHRFFAR4PTGS2ALDH1A1LMNA
SCHEMBL9535324 0.79 TSHR (0.42) TSHR
SCHEMBL9039283 0.79 TSHR (0.38) TSHRALDH1A1LMNA
SCHEMBL9536906 0.78 SMN1; SMN2 (0.34) TSHRPTGS2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
US-8318637-B2 Herbicide/azole combination BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
WO-2011076731-A1 LIQUID FORMULATION OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)CARBAMOYL]BENZOLSULFONAMIDE BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-7867946-B2 Liquid formulation BAYER CROPSCIENCE AG (DE) 2011-01-11 US disclosed
US-20100255995-A1 HERBICIDE/AZOLE COMBINATION BAYER CROPSCIENCE AG (DE) 2010-10-07 US disclosed
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5698539-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
WO-1997045016-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE HOECHST SCHERING AGREVO GMBH (DE) 1997-12-04 WO disclosed
EP-0719261-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
US-5516750-A FOR PESTICIDES AND HERBICIDES IN CROP PLANTS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-14 US disclosed
EP-0697016-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USE AS SAFENERS Hoechst Schering AgrEvo GmbH (DE) 1996-02-21 EP disclosed
EP-0663397-A2 Bicyclic heteroaryl compounds, process for their preparation and their use as safener Hoechst Schering AgrEvo GmbH (DE) 1995-07-19 EP disclosed
WO-1995007897-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
WO-1994026716-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USE AS SAFENERS HOECHST SCHERING AGREVO GMBH (DE) 1994-11-24 WO disclosed
EP-0582198-A2 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners Hoechst Schering AgrEvo GmbH (DE) 1994-02-09 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 (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-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES DDT, DCPS, TYMP TSHR 1310/4885FFAR4 2882/4885PTGS2 3859/4885
US-20100255995-A1 HERBICIDE/AZOLE COMBINATION HTT, SOD1, ABAT TSHR 3428/4885FFAR4 4042/4885PTGS2 4561/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A TSHR 1044/4885FFAR4 830/4885PTGS2 4155/4885
US-20110152082-A1 LIQUID FORMULATIONS CBX3, CBX6, IPO11 TSHR 3015/4885FFAR4 4099/4885PTGS2 4509/4885

“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.