SCHEMBL29677

SCHEMBL29677

O=Cc1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 8/20 0.33
GAA P10253 4/20 0.33
HPGD P15428 3/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL30101 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL697636 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30100 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1119900 0.86 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1119901 0.85 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL13228438 0.85 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL15312972 0.83 PPARG (0.35) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2593802 0.83 PPARG (0.35) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL15446675 0.82 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2591277 0.82 ALDH1A1 (0.33) CYP3A4CYP2C19ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4388876-A2 FUNGICIDAL NITROANILINO SUBSTITUTED PYRAZOLES FMC Corporation (US) 2024-06-26 EP disclosed
US-11903387-B2 Fungicidal composition GOWAN COMPANY, L.L.C. (US) 2024-02-20 US disclosed
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound GOWAN COMPANY, L.L.C. (US) 2022-03-15 US disclosed
EP-3606920-B1 FUNGICIDAL OXADIAZOLES FMC CORP (US) 2021-09-22 EP disclosed
US-20210045386-A1 FUNGICIDAL COMPOSITION BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2021-02-18 US disclosed
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
WO-2020056090-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION (US) 2020-03-19 WO disclosed
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2012025557-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
EP-2423210-A1 Heteroarylpiperidine and heteroarylpiperazine derivatives as fungicides Bayer CropScience AG (DE) 2012-02-29 EP disclosed
EP-2376487-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT Bayer CropScience AG (DE) 2011-10-19 EP disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO 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 (8 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-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 CYP1A2 6/4885CYP3A4 36/4885CYP2D6 170/4885
US-20210045386-A1 FUNGICIDAL COMPOSITION CYP51A1, CYP4Z1, ERG28 CYP1A2 11/4885CYP3A4 100/4885CYP2D6 153/4885
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 CYP1A2 181/4885CYP3A4 397/4885CYP2D6 911/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CYP1A2 3/4885CYP3A4 36/4885CYP2D6 68/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 CYP1A2 274/4885CYP3A4 218/4885CYP2D6 992/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 CYP1A2 20/4885CYP3A4 48/4885CYP2D6 305/4885
US-11903387-B2 Fungicidal composition CYP51A1, CYP4Z1, ERG28 CYP1A2 11/4885CYP3A4 100/4885CYP2D6 153/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 CYP1A2 6/4885CYP3A4 36/4885CYP2D6 170/4885

“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.