SCHEMBL2732008

SCHEMBL2732008

ClC1=NN(c2ccccc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MAPK1 P28482 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
GLA P06280 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 2/20 0.44
ALB P02768 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
GAA P10253 2/20 0.35
PGR P06401 2/20 0.35
ABL1 P00519 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
SCHEMBL2730663 0.88 MAPT (0.58) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL31065089 0.77 MAOB (0.51) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL17801328 0.72 MAPT (0.63) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL16652173 0.69 ABL1 (0.44) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL7719905 0.68 ALOX5 (0.58) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL8911866 0.68 MAPT (0.58) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL1122272 0.68 MAOB (0.59) MAPTMAPK1KDM4ENPC1GLA
Phenidone SCHEMBL9670254 0.68 MAOB (0.59) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL12716578 0.68 MAPT (0.77) MAPTMAPK1KDM4ENPC1GLA
SCHEMBL13387644 0.68 ALOX5 (0.43) MAPTMAPK1KDM4ENPC1GLA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150284380-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-10-08 US disclosed
EP-2914587-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2015-09-09 EP disclosed
WO-2014067962-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2014-05-08 WO disclosed
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-2630133-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-08-28 EP disclosed
WO-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 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 (3 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-20150284380-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, KEAP1, NISCH MAPT 4113/4885MAPK1 3091/4885KDM4E 661/4885
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MAPT 4207/4885MAPK1 4276/4885KDM4E 1664/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MAPT 4207/4885MAPK1 4276/4885KDM4E 1664/4885

“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.