SCHEMBL694156

SCHEMBL694156

CCOC(=O)C1(C)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.42
GABRB2 P47870 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38

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
SCHEMBL29419101 1.00 GABRA2 (0.42) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL31084630 0.96 GABRA2 (0.44) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6061258 0.93 GABRA2 (0.42) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL23722 0.91 GABRA2 (0.46) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7637001 0.91 GABRA2 (0.46) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL29687006 0.91 GABRA2 (0.46) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL21153068 0.91 GABRA2 (0.46) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
Butane SCHEMBL19283706 0.89 GABRA2 (0.44) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6346187 0.89 GABRA2 (0.42) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL166108 0.88 SMN1; SMN2 (0.47) GABRA2GABRB2SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US claimed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP claimed
CN-116801720-A Novel agrochemical compositions comprising 3-substituted benzamidine compounds and uses thereof 皮埃企业有限公司 2023-09-22 CN claimed
WO-2022130188-A1 AGROCHEMICAL COMPOSITION COMPRISING PIPERIDINE THIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2022-06-23 WO claimed
WO-2022113033-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-06-02 WO claimed
WO-2021094906-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 4-SUBSTITUTED PHENYLAMIDINE COMPOUNDS PI INDUSTRIES LTD. (IN) 2021-05-20 WO claimed
EP-3554240-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2019-10-23 EP claimed
US-20190313638-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 US claimed
WO-2018109002-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO claimed
WO-2018108977-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO claimed
WO-2011138280-A2 HERBICIDE/SAFENER COMBINATIONS COMPRISING ARYLPYRIDAZINONES AND SAFENER BAYER CROPSCIENCE AG (DE) 2011-11-10 WO claimed
EP-1555876-B2 COMBINATIONS OF ARYLOXYPHENOXYPROPIONATES AND SAFENERS AND THEIR USE FOR INCREASING WEED CONTROL BAYER CROPSCIENCE AG (DE) 2011-05-11 EP claimed
EP-2210492-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-07-28 EP claimed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-1555876-B1 COMBINATIONS OF ARYLOXYPHENOXYPROPIONATES AND SAFENERS AND THEIR USE FOR INCREASING WEED CONTROL BAYER CROPSCIENCE AG (DE) 2007-05-23 EP claimed
EP-1515606-B1 COMBINATIONS OF HERBICIDAL AROMATIC CARBOXYLIC ACIDS AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-04-26 EP claimed
EP-1538901-B1 COMBINATIONS OF CYCLOHEXANEDIONE OXIME HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-03-08 EP claimed
EP-1382247-A1 Combinations of cyclohexanedione oxime herbicides and safeners Bayer CropScience GmbH (DE) 2004-01-21 EP claimed
US-5733847-A Selective herbicidal compositions in the form of concentrated microemulsions HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-31 US claimed
EP-0533057-B1 Selective herbicidal agent in the form of concentrated microemulsions HOECHST SCHERING AGREVO GMBH (DE) 1997-12-29 EP claimed

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-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF CBR3, PFAS, PAH GABRA2 4329/4885GABRB2 4271/4885SMN1; SMN2 4788/4885
US-20190313638-A1 ACTIVE COMPOUND COMBINATIONS PFAS, DPM1, NACA GABRA2 3635/4885GABRB2 3609/4885SMN1; SMN2 3865/4885

“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.