SCHEMBL6722860

SCHEMBL6722860

O=C(O)c1cc(B(O)O)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
HPGD P15428 5/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 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
SCHEMBL29951460 0.85 KEAP1 (0.42) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
SCHEMBL6719659 0.81 GAA (0.45) SMN1; SMN2TSHRALDH1A1POLBAPEX1
SCHEMBL979056 0.80 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
SCHEMBL32668944 0.80 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
SCHEMBL23899317 0.79 KDM4E (0.41) KEAP1NFE2L2MEN1KMT2ATDP1
SCHEMBL364382 0.78 KEAP1 (0.48) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL9488278 0.78 KEAP1 (0.53) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
SCHEMBL6740271 0.77 LMNA (0.44) SMN1; SMN2ALDH1A1POLBAPEX1HPGD
SCHEMBL7007499 0.77 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2TSHRALDH1A1
SCHEMBL25170326 0.76 KDM1A (0.35) SMN1; SMN2TSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD KEAP1 157/4885NFE2L2 1862/4885SMN1; SMN2 4090/4885

“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.