SCHEMBL125619

SCHEMBL125619

O=C(O)c1cc2cc(F)c(C3CC3)nc2nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GFER P55789 1/20 0.33
POLB P06746 1/20 0.33
DHODH Q02127 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MGLL Q99685 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
ASPH Q12797 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
SCHEMBL125884 0.82 KDM4E (0.46) MAPTALDH1A1DHODHNR1H2NR1H3
SCHEMBL124994 0.79 ROCK2 (0.43)
SCHEMBL126280 0.78 GFER (0.43) ALDH1A1GFERKEAP1NFE2L2ASPH
SCHEMBL126379 0.78 GFER (0.38) GFERKEAP1NFE2L2NR1H2NR1H3
SCHEMBL122742 0.76 GFER (0.34) GFERKEAP1NFE2L2ASPH
SCHEMBL3433966 0.76 GFER (0.34) GFERDHODHKEAP1NFE2L2ASPH
SCHEMBL28008303 0.76 GFER (0.36) ALDH1A1GFERKEAP1NFE2L2ASPH
SCHEMBL124692 0.75 CNR2 (0.32) GFERNR1H2NR1H3
SCHEMBL125573 0.75 GFER (0.36) GFERKEAP1NFE2L2NR1H2NR1H3
SCHEMBL123860 0.75 PTPN1 (0.37) GFERKEAP1NFE2L2ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT MAPT 4399/4885ALDH1A1 677/4885SMN1; SMN2 4050/4885

“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.