SCHEMBL3333268

SCHEMBL3333268

CCC(F)c1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)OC)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 1/20 0.33
RORC P51449 1/20 0.33
RIPK1 Q13546 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
PGK1 P00558 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
IDO1 P14902 1/20 0.31
MAPT P10636 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
SCHEMBL3840085 0.90 KDM4E (0.36) ALDH1A1MEN1KMT2ARORCRIPK1
SCHEMBL2465259 0.88 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ARORCRIPK1
SCHEMBL3329471 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AALPLRORC
SCHEMBL3330786 0.85 KDM4E (0.35) ALDH1A1ALPLKDM4ESMN1; SMN2ADORA3
SCHEMBL17797211 0.85 RIPK1 (0.34) ALDH1A1MEN1KMT2ARORCRIPK1
SCHEMBL3324266 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AALPLRORC
SCHEMBL16047929 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AALPLRIPK1
SCHEMBL3330604 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AALPLKDM4E
SCHEMBL3329720 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AALPLRORC
SCHEMBL3836852 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AALPLRORC

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 209/4885MEN1 3489/4885KMT2A 1867/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885MEN1 3489/4885KMT2A 1867/4885

“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.