SCHEMBL3672424

SCHEMBL3672424

CCn1nc(Oc2cc(F)cc(Oc3cc(C(F)(F)F)nn3C)c2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
MGLL Q99685 1/20 0.32
RAB9A P51151 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
SCHEMBL5226326 0.87 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5227796 0.80 KMT2A (0.51) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL29980924 0.78 KMT2A (0.41) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL29981407 0.78 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL3678419 0.78 KMT2A (0.41) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL3672964 0.78 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5216317 0.73 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1
SCHEMBL6950881 0.72 ADORA2A (0.44) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL6281244 0.72 ADORA2A (0.50) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5221402 0.70 KMT2A (0.47) KMT2ATGFBR1ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4094580-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL) ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2022-11-30 EP claimed
US-10159249-B2 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-12-25 US claimed
EP-2854538-B1 HERBICIDE COMPOSITIONS CONTAINING N-(TETRAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2017-05-03 EP claimed
US-20170027174-A1 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides BAYER CROSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US claimed
EP-3073828-A2 USE OF 2-CHLORO-3-(METHYLSULFANYL)-N-(1-METHYL-1H-TETRAZOL-5-YL)-4-(TRIFLUOROMETHYL)BENZAMIDE OR ITS SALTS FOR CONTROLLING UNWANTED PLANTS IN AREAS OF TRANSGENIC CROP PLANTS BEING TOLERANT TO HPPD INHIBITOR HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-10-05 EP claimed
EP-3060057-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL)-ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-08-31 EP claimed
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US claimed
US-20150264933-A1 HERBICIDAL COMPOSITIONS COMPRISING N-TETRAZOL-5-YL)- OR N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-24 US claimed
EP-2921052-A1 HERBICIDE COMPOUNDS CONTAINING N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES Bayer CropScience AG (DE) 2015-09-23 EP claimed
WO-2015078828-A2 USE OF 2-CHLORO-3-(METHYLSULFANYL)-N-(1-METHYL-1H-TETRAZOL-5-YL)-4-(TRIFLUOROMETHYL)BENZAMIDE OR ITS SALTS FOR CONTROLLING UNWANTED PLANTS IN AREAS OF TRANSGENIC CROP PLANTS BEING TOLERANT TO HPPD INHIBITOR HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-06-04 WO claimed
WO-2015059187-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL)-ARYL CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2015-04-30 WO claimed
EP-2854538-A1 HERBICIDAL COMPOSITIONS COMPRISING N-(TETRAZOL-5-YL)- OR N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES Bayer CropScience AG (DE) 2015-04-08 EP claimed
WO-2013174845-A1 HERBICIDAL COMPOSITIONS COMPRISING N-(TETRAZOL-5-YL)- OR N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-11-28 WO claimed
US-20100323894-A1 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2010-12-23 US claimed
EP-2205095-A2 HERBICIDAL COMBINATION Bayer CropScience AG (DE) 2010-07-14 EP claimed
WO-2009053054-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 WO claimed
EP-2052615-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 EP claimed
EP-4094580-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL) ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2022-11-30 EP disclosed
EP-2052615-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 EP disclosed
EP-2052615-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 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 (5 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-20150264933-A1 HERBICIDAL COMPOSITIONS COMPRISING N-TETRAZOL-5-YL)- OR N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES HDHD5, AADAC, DDT KMT2A 881/4885TGFBR1 4421/4885ADORA2A 3622/4885
US-20170027174-A1 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides HPD, PGD, TKT KMT2A 8/4885TGFBR1 1878/4885ADORA2A 4162/4885
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides AADAC, DDT, DNPH1 KMT2A 932/4885TGFBR1 4255/4885ADORA2A 1850/4885
US-10159249-B2 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides HPD, PGD, PHYKPL KMT2A 10/4885TGFBR1 1812/4885ADORA2A 4034/4885
US-20100323894-A1 HERBICIDAL COMBINATION DDT, CYP4B1, CYP1B1 KMT2A 259/4885TGFBR1 3179/4885ADORA2A 3909/4885

“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.