SCHEMBL45159

SCHEMBL45159

CCOC(=O)c1cc(C(=O)CBr)nn1-c1ncccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
PDE4B Q07343 1/20 0.40
LMNA P02545 2/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL44859 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25082886 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1762554 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29372796 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1762446 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL951462 0.85 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29558577 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29860005 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL950958 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13483399 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 ALDH1A1 732/4885SMN1; SMN2 3869/4885NPC1 4681/4885

“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.