SCHEMBL326353

SCHEMBL326353

CCc1ccccc1C(N)=C(C#N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.38
CLCN2 P51788 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL30129192 0.85 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL228932 0.80 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL28726115 0.75 HPGD (0.52) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL123933 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ATDP1RAB9A
SCHEMBL123931 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ATDP1RAB9A
SCHEMBL11473722 0.74 CLCN2 (0.41) ALDH1A1MAPTMEN1KMT2ACLCN2
SCHEMBL123932 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ATDP1RAB9A
SCHEMBL7093269 0.74 CLCN2 (0.40) MAPTTDP1CLCN2RAB9ANPSR1
SCHEMBL28811637 0.73 CTSD (0.49) ALDH1A1MAPTMEN1KMT2ATDP1
Water SCHEMBL27800115 0.72 POLB (0.47) ALDH1A1TDP1CLCN2TP53POLB

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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 EP claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 EP claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-2854532-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2019-08-07 EP claimed
EP-2854552-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF AMINO ACID OR PROTEIN BIOSYNTHESIS, INHIBITORS OF ATP PRODUCTION AND INHIBITORS OF THE CELL WALL SYNTHESIS BAYER CROPSCIENCE AG (DE) 2019-05-08 EP claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2879493-B1 PESTICIDAL COMPOSITIONS COMPRISING A TERPENE MIXTURE AND FLUPYRADIFURONE BAYER CROPSCIENCE AG (DE) 2018-09-19 EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
EP-2854534-B1 COMPOSITIIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2018-04-11 EP claimed
EP-2793578-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2014-10-29 EP claimed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US claimed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO claimed
WO-2013092350-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2013-06-27 WO claimed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 EP claimed
EP-2590511-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP claimed
EP-2494867-A1 Halogen-substituted compounds in combination with fungicides Bayer CropScience AG (DE) 2012-09-05 EP claimed
EP-2467367-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 EP claimed
WO-2012004221-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO claimed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO claimed

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-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES AFF4, ARSA, AFF1 ALDH1A1 1348/4885MAPT 4157/4885MEN1 4026/4885

“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.