SCHEMBL2730663

SCHEMBL2730663

ClC1=NN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
MAPK1 P28482 4/20 0.58
KDM4E B2RXH2 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
GLA P06280 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAOB P27338 2/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
ABL1 P00519 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
ALB P02768 1/20 0.37
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL2732008 0.88 MAPT (0.50) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL16652173 0.80 ABL1 (0.44) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL17801328 0.79 MAPT (0.63) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL13387644 0.78 ALOX5 (0.43) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL7719905 0.75 ALOX5 (0.58) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL8911866 0.75 MAPT (0.58) MAPTMAPK1KDM4ENPC1RAB9A
Phenidone SCHEMBL9670254 0.75 MAOB (0.59) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL1122272 0.75 MAOB (0.59) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL12716578 0.74 MAPT (0.77) MAPTMAPK1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11103110 0.73 ALOX5 (0.57) MAPTMAPK1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103270029-B As the heterogeneous ring compound of agricultural chemicals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-20 CN disclosed
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
CN-103270029-A Novel heterocyclic compounds as pesticides BAYER IP GMBH 2013-08-28 CN disclosed
WO-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO disclosed
EP-0127371-B1 1,N-DIARYL-4,5-DIHYDRO-1H-PYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR PREPARATION FISONS plc (GB) 1990-11-22 EP disclosed
US-4956378-A 4,5-dihydro pyrazole compounds FISONS PLC (GB) 1990-09-11 US disclosed
US-4824859-A Pyrazoline compounds compositions and use FISONS PLC. (GB) 1989-04-25 US disclosed
EP-0127371-A2 1,N-diaryl-4,5-dihydro-1H-pyrazol-3-amines, compositions containing them and methods for their preparation FISONS plc (GB) 1984-12-05 EP 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.