SCHEMBL44829

SCHEMBL44829

COC(=O)c1cc(Nc2ccc(C(F)(F)F)cn2)nn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.43
RPS6KA3 P51812 1/20 0.41
TRPA1 O75762 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
KCNH2 Q12809 1/20 0.40
DHODH Q02127 1/20 0.39
HCRTR1 O43613 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MAPT P10636 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
LIPE Q05469 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL45448 0.89 TRPV1 (0.45) TRPV1RPS6KA3TRPA1HCRTR1MAPT
SCHEMBL45449 0.83 TRPV1 (0.43) TRPV1RPS6KA3TRPA1HCRTR1MAPT
SCHEMBL44847 0.79 TRPV1 (0.53) TRPV1TRPA1KCNH2
SCHEMBL10118409 0.77 KCNH2 (0.36) TRPV1RPS6KA3JAK1TYK2KCNH2
SCHEMBL10136251 0.77 KCNH2 (0.40) TRPV1RPS6KA3JAK1TYK2KCNH2
SCHEMBL384694 0.76 ALDH1A1 (0.45) MALT1ALDH1A1
SCHEMBL10118401 0.76 TRPV1 (0.37) TRPV1RPS6KA3JAK1TYK2KCNH2
SCHEMBL23249321 0.74 DHODH (0.45) DHODHMALT1GAAALDH1A1
SCHEMBL44760 0.74 MALT1 (0.39) TRPA1DHODHMALT1ALDH1A1
SCHEMBL29504162 0.74 DHODH (0.45) DHODHMALT1GAAALDH1A1

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 TRPV1 2761/4885RPS6KA3 1653/4885TRPA1 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.