SCHEMBL45427

SCHEMBL45427

COC(=O)c1cc(/C=C/n2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.35
DHODH Q02127 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
TRPA1 O75762 2/20 0.33
NOTUM Q6P988 1/20 0.32
RBP4 P02753 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL340885 1.00 MALT1 (0.35) MALT1DHODHTRPV1TRPA1NOTUM
SCHEMBL341062 0.90 TRPV1 (0.33) MALT1TRPV1TRPA1
SCHEMBL341061 0.90 TRPV1 (0.33) MALT1TRPV1TRPA1
SCHEMBL44772 0.84 TRPA1 (0.35) MALT1DHODHTRPV1TRPA1
SCHEMBL45070 0.83 MALT1 (0.35) MALT1DHODHTRPV1TRPA1NOTUM
SCHEMBL339427 0.83 MALT1 (0.35) MALT1DHODHTRPV1TRPA1NOTUM
SCHEMBL2623668 0.79 DHODH (0.36) MALT1DHODHTRPV1TRPA1ALDH1A1
SCHEMBL10136638 0.79 SLC2A1 (0.33) MALT1DHODHTRPV1
SCHEMBL45109 0.78 MALT1 (0.38) MALT1DHODHTRPA1RBP4ALDH1A1
SCHEMBL44964 0.77 DHODH (0.34) MALT1DHODHTRPV1TRPA1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582688-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
EP-2582688-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
WO-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO 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-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES DDT, QDPR, ANTXR2 MALT1 4605/4885DHODH 197/4885TRPV1 2761/4885

“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.