SCHEMBL45069

SCHEMBL45069

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN9A Q15858 1/20 0.38
XPO1 O14980 2/20 0.36
MAPT P10636 3/20 0.36
HSD11B1 P28845 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
PDE4B Q07343 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL339565 0.87 TRPA1 (0.33) RAB9AALDH1A1NPC1SMN1; SMN2HPGD
SCHEMBL45281 0.82 TRPA1 (0.35) ALDH1A1HPGD
SCHEMBL1680138 0.79 ALDH1A1 (0.44) RAB9AALDH1A1SCN9AMAPTHSD11B1
SCHEMBL45159 0.79 ALDH1A1 (0.44) RAB9AALDH1A1SCN9AMAPTHSD11B1
SCHEMBL44859 0.78 ALDH1A1 (0.47) RAB9AALDH1A1MAPTHSD11B1NPC1
SCHEMBL2623668 0.78 DHODH (0.36) ALDH1A1SMN1; SMN2
SCHEMBL1762653 0.77 ALDH1A1 (0.42) RAB9AALDH1A1SCN9AHSD11B1NPC1
SCHEMBL10118295 0.76 SLC2A1 (0.36) ALDH1A1SMN1; SMN2
Sulfuric Acid SCHEMBL7059889 0.76 ALDH1A1 (0.41) RAB9AALDH1A1SCN9AMAPTHSD11B1
SCHEMBL31471616 0.76 ALDH1A1 (0.43) RAB9AALDH1A1SCN9AHSD11B1NPC1

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 RAB9A 396/4885PKM 2408/4885MAPK1 2357/4885

“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.