SCHEMBL3330604

SCHEMBL3330604

COC(=O)c1nc(-c2ccc(Cl)c(C(F)F)c2Cl)cc(NC(C)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALPL P05186 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NUDT1 P36639 1/20 0.36
ADORA3 P0DMS8 2/20 0.34
NQO2 P16083 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
RCE1 Q9Y256 1/20 0.33
RECQL P46063 1/20 0.33
ABL1 P00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PDK2 Q15119 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
SCHEMBL3836852 0.93 ALDH1A1 (0.42) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL16047929 0.90 ALDH1A1 (0.41) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3842035 0.89 KDM4E (0.38) ALDH1A1MEN1KMT2ANUDT1SCN9A
SCHEMBL2470012 0.86 ALDH1A1 (0.38) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3329471 0.85 ALDH1A1 (0.39) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3331762 0.84 ALDH1A1 (0.46) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3327361 0.84 ALDH1A1 (0.46) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3333268 0.84 ALDH1A1 (0.38) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3836545 0.84 ALDH1A1 (0.40) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3327448 0.84 ALPL (0.40) ALDH1A1ALPLKMT2ANQO2SCN10A

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 209/4885ALPL 706/4885MEN1 3489/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885ALPL 706/4885MEN1 3489/4885

“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.