SCHEMBL522034

SCHEMBL522034

O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
ROCK1 Q13464 7/20 0.43
ROCK2 O75116 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.41
LMNA P02545 1/20 0.40
MYLK4 Q86YV6 1/20 0.40
NTRK1 P04629 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1561098 0.84 ALDH1A1 (0.47) CHRM3ROCK1ROCK2ALDH1A1KMT2A
SCHEMBL4602252 0.82 CHRM3 (0.51) CHRM3CHRM2CHRM1ROCK1ROCK2
SCHEMBL1561413 0.81 HTT (0.48) CHRM3ROCK1ROCK2ALDH1A1RAB9A
SCHEMBL30440192 0.77 CHRM3 (0.52) CHRM3CHRM2CHRM1ROCK1ALDH1A1
SCHEMBL2787276 0.77 CHRM3 (0.52) CHRM3CHRM2CHRM1ROCK1ALDH1A1
SCHEMBL2362698 0.77 ABCG2 (0.46) ROCK1ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL16266714 0.76 KDM4E (0.47) ROCK1ROCK2ALDH1A1RAB9AKMT2A
SCHEMBL30990387 0.75 CHRM3 (0.44) CHRM3CHRM2CHRM1ALDH1A1RAB9A
SCHEMBL17797001 0.75 CHRM3 (0.52) CHRM3CHRM2CHRM1ALDH1A1RAB9A
SCHEMBL15774297 0.75 ALDH1A1 (0.42) ROCK1ALDH1A1KMT2AKDM4EL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026101906-A1 MIXTURES FOR FUNGAL CONTROL IN CORN CORTEVA AGRISCIENCE LLC (US) 2026-05-15 WO disclosed
WO-2026101908-A1 MIXTURES FOR FUNGAL CONTROL IN SOYBEANS CORTEVA AGRISCIENCE LLC (US) 2026-05-15 WO disclosed
WO-2026101907-A1 MIXTURES FOR FUNGAL CONTROL IN CEREALS CORTEVA AGRISCIENCE LLC (US) 2026-05-15 WO disclosed
EP-3058822-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING PROTHIOCONAZOLE AND FLUXAPYROXAD FOR CONTROLLING BEET DISEASES Bayer Intellectual Property GmbH (DE) 2016-08-24 EP disclosed
US-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2012-02-02 US disclosed
EP-2176229-A1 NOVEL CRYSTALLINE FORM OF 3-(DIFLUORMETHYL)-1-METHYL-N -(3',4',5'-TRIFLUOR[1,1'-BIPHENYL]-2-YL)-1H-PYRAZOL-4-CARBOXAMIDE BASF SE (DE) 2010-04-21 EP disclosed
WO-2009007344-A1 NOVEL CRYSTALLINE FORM OF 3-(DIFLUORMETHYL)-1-METHYL-N -(3',4',5'-TRIFLUOR[1,1'-BIPHENYL]-2-YL)-1H-PYRAZOL-4-CARBOXAMIDE BASF SE (DE) 2009-01-15 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 (1 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-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 CHRM3 820/4885CHRM2 1121/4885CHRM1 1385/4885

“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.