SCHEMBL1774040

SCHEMBL1774040

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C=O)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CCR1 P32246 1/20 0.45
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SPR P35270 1/20 0.36
HPGD P15428 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL3681642 0.92 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL2598564 0.90 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL3689050 0.90 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL2598566 0.90 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL18978946 0.90 GAA (0.37) GAACCR1LMNAPOLBSPR
SCHEMBL27863439 0.87 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL1774177 0.87 GAA (0.44) GAACCR1LMNATP53L3MBTL1
SCHEMBL1774175 0.87 GAA (0.44) GAACCR1LMNATP53L3MBTL1
SCHEMBL20801744 0.87 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1228464 0.87 GAA (0.51) GAACCR1LMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 CN claimed
EP-2712616-B1 Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection DU PONT (US) 2017-04-19 EP claimed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US claimed
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
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
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 CN disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP 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
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 GAA 1230/4885CCR1 1397/4885LMNA 3809/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 GAA 715/4885CCR1 945/4885LMNA 3574/4885
US-20210045386-A1 FUNGICIDAL COMPOSITION CYP51A1, CYP4Z1, ERG28 GAA 381/4885CCR1 1256/4885LMNA 3927/4885
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 GAA 1697/4885CCR1 3055/4885LMNA 2452/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 GAA 715/4885CCR1 945/4885LMNA 3574/4885
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents CYP8B1, CYP51A1, HPD GAA 217/4885CCR1 2946/4885LMNA 1065/4885
US-11903387-B2 Fungicidal composition CYP51A1, CYP4Z1, ERG28 GAA 381/4885CCR1 1256/4885LMNA 3927/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 GAA 1230/4885CCR1 1397/4885LMNA 3809/4885

“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.