SCHEMBL3329191

SCHEMBL3329191

COCOc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)OC)n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RIPK1 Q13546 3/20 0.35
RORC P51449 1/20 0.34
ALPL P05186 1/20 0.34
S1PR4 O95977 1/20 0.34
IAPP P10997 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ABL1 P00519 1/20 0.32
NUDT1 P36639 1/20 0.32

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
SCHEMBL3840756 0.92 CLCN2 (0.35) ALDH1A1RIPK1RORCLMNAADORA2A
SCHEMBL3324266 0.92 ALDH1A1 (0.41) ALDH1A1RIPK1RORCALPLS1PR4
SCHEMBL1918400 0.89 ALDH1A1 (0.43) ALDH1A1ALPLMEN1KMT2AADORA2A
SCHEMBL2470796 0.86 ALDH1A1 (0.35) ALDH1A1RIPK1RORCADORA2AADORA1
SCHEMBL17797248 0.85 RIPK1 (0.34) ALDH1A1RIPK1RORCIAPPADORA2A
SCHEMBL3329720 0.85 ALDH1A1 (0.40) ALDH1A1RIPK1RORCALPLMEN1
SCHEMBL3330292 0.85 KDM4E (0.36) ALDH1A1ALPLS1PR4ABL1
SCHEMBL3332440 0.85 ALDH1A1 (0.43) ALDH1A1RIPK1ALPLS1PR4LMNA
SCHEMBL19625995 0.84 ALDH1A1 (0.41) ALDH1A1RIPK1RORCALPLS1PR4
SCHEMBL16045949 0.84 ALDH1A1 (0.43) ALDH1A1RIPK1ALPLIAPPMEN1

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 4491/4885RORC 2460/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885RIPK1 4491/4885RORC 2460/4885

“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.