SCHEMBL3329720

SCHEMBL3329720

COC(=O)c1nc(-c2ccc(Cl)c(OC(F)F)c2F)cc(NC(C)=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RIPK1 Q13546 2/20 0.35
ALPL P05186 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGES O14684 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ABL1 P00519 1/20 0.33
NUDT1 P36639 1/20 0.32
RORC P51449 2/20 0.32
PYGL P06737 2/20 0.32
NQO2 P16083 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL28792444 0.91 RIPK1 (0.35) ALDH1A1RIPK1PTGESABL1NUDT1
SCHEMBL1918400 0.90 ALDH1A1 (0.43) ALDH1A1ALPLMEN1KMT2AADORA3
SCHEMBL2468120 0.87 ALDH1A1 (0.36) ALDH1A1RIPK1MEN1KMT2APTGES
SCHEMBL3324266 0.87 ALDH1A1 (0.41) ALDH1A1RIPK1ALPLMEN1KMT2A
SCHEMBL3332440 0.85 ALDH1A1 (0.43) ALDH1A1RIPK1ALPLMEN1KMT2A
SCHEMBL3329191 0.85 ALDH1A1 (0.40) ALDH1A1RIPK1ALPLMEN1KMT2A
SCHEMBL16047929 0.85 ALDH1A1 (0.41) ALDH1A1RIPK1ALPLMEN1KMT2A
SCHEMBL3327575 0.85 KDM4E (0.37) ALDH1A1ALPLPTGESABL1NQO2
SCHEMBL3329471 0.84 ALDH1A1 (0.39) ALDH1A1RIPK1ALPLMEN1KMT2A
SCHEMBL3331762 0.84 ALDH1A1 (0.46) ALDH1A1ALPLMEN1KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 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 (2 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885RIPK1 4491/4885ALPL 706/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885RIPK1 4491/4885ALPL 706/4885

“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.