SCHEMBL44964

SCHEMBL44964

COC(=O)c1cc(C(O)Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
MALT1 Q9UDY8 5/20 0.33
TRPA1 O75762 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRL1 P41146 1/20 0.32
NOTUM Q6P988 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
RBP4 P02753 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
SCHEMBL341466 0.89 ALDH1A1 (0.33) TRPA1TRPV1ALDH1A1SMN1; SMN2OPRL1
SCHEMBL2623668 0.85 DHODH (0.36) DHODHMALT1TRPA1TRPV1ALDH1A1
SCHEMBL45189 0.84 TRPA1 (0.34) TRPA1TRPV1SLC16A3SLC16A1
SCHEMBL45298 0.84 DHODH (0.33) DHODHMALT1TRPA1TRPV1NOTUM
SCHEMBL10136602 0.78 SLC2A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL27917395 0.78 MALT1 (0.37) DHODHMALT1ALDH1A1RBP4
SCHEMBL45427 0.77 MALT1 (0.35) DHODHMALT1TRPA1TRPV1ALDH1A1
SCHEMBL340885 0.77 MALT1 (0.35) DHODHMALT1TRPA1TRPV1ALDH1A1
SCHEMBL45069 0.76 RAB9A (0.39) ALDH1A1SMN1; SMN2
SCHEMBL1697023 0.76 ALDH1A1 (0.35) MALT1TRPA1TRPV1ALDH1A1SMN1; SMN2

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 6 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
CN-103068813-A Anthranilic acid diamide derivatives BAYER CROPSCIENCE AG 2013-04-24 CN 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 DHODH 197/4885MALT1 4605/4885TRPA1 1434/4885

“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.