SCHEMBL45013

SCHEMBL45013

COC(=O)c1cc(Cc2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
DGAT2 Q96PD7 3/20 0.37
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 4/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
MALT1 Q9UDY8 2/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL44880 0.81 OPRL1 (0.41) OPRL1DGAT2KMT2AMALT1
SCHEMBL16014672 0.80 MALT1 (0.37) KMT2AMALT1
SCHEMBL384207 0.80 KDM4E (0.41) OPRL1KMT2AMALT1
SCHEMBL28802119 0.79 ALDH1A1 (0.38) KMT2AMALT1
SCHEMBL30206595 0.79 MALT1 (0.38) KMT2AMALT1
SCHEMBL421559 0.79 MALT1 (0.38) KMT2AMALT1
SCHEMBL340847 0.79 MALT1 (0.38) KMT2AMALT1
SCHEMBL2623669 0.79 MALT1 (0.39) OPRL1KMT2AMALT1
SCHEMBL25008752 0.78 SLC16A3 (0.41) KMT2AMALT1
SCHEMBL341689 0.78 DHODH (0.38) KMT2AMALT1

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 OPRL1 3656/4885DGAT2 2203/4885KCNH2 835/4885

“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.