SCHEMBL125375

SCHEMBL125375

Cc1nc2nc(Cl)c(C(=O)O)c(C(F)F)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
DHODH Q02127 3/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
ALB P02768 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL123991 0.82 POLB (0.33) MEN1KMT2ADHODHPOLB
SCHEMBL124636 0.81 ACHE (0.31)
SCHEMBL123503 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL23856563 0.66 KEAP1 (0.70) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL123434 0.64 DHODH (0.36) ALDH1A1DHODH
SCHEMBL29184110 0.62 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL3753379 0.62 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29794402 0.62 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL23856681 0.62 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL30047947 0.62 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
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

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 ALDH1A1 677/4885MAPK1 2557/4885SMN1; 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.