SCHEMBL3747880

SCHEMBL3747880

N#Cc1cccc2nnsc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.35
MALT1 Q9UDY8 2/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL8038799 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8485908 0.69 PSMB8 (0.42) PSMB8ALDH1A1TSHRHTTLMNA
SCHEMBL29561649 0.69
SCHEMBL5474087 0.69 ALDH1A1 (0.41) PSMB8MALT1ALDH1A1KDM4ETSHR
SCHEMBL18905972 0.68 THRB (0.31) THRB
SCHEMBL25156246 0.67 PSMB8 (0.44) PSMB8MALT1ALDH1A1KDM4ETSHR
SCHEMBL2748847 0.67 PSMB8 (0.44) PSMB8ALDH1A1KDM4ETSHRGAA
SCHEMBL9088304 0.67 TRPV4 (0.35) PSMB8SMN1; SMN2
SCHEMBL9666635 0.67 BAZ1A (0.33) PSMB8NSD2ALDH1A1KDM4E
SCHEMBL20265769 0.65 MAPT (0.34) ALDH1A1HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US claimed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP claimed
EP-0332104-A2 Chemically regulatable DNA sequences and genes and uses thereof CIBA-GEIGY AG (CH) 1989-09-13 EP claimed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 EP claimed
JP-1090176-A None JP disclosed
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENT -RUN FÜR GESUNDHEIT UND (DE) 2015-02-05 US disclosed
EP-2736331-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-04 EP disclosed
US-8481810-B2 Transgenic plants expressing a cellulase SYNGENTA PARTICIPATIONS AG (CH) 2013-07-09 US disclosed
WO-2013014245-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2013-01-31 WO disclosed
US-7838732-B2 Transgenic plants expressing a cellulase SYNGENTA PARTICIPATIONS AG (CH) 2010-11-23 US disclosed
WO-2009095098-A2 USE OF BENZOTHIADIAZOLES RWTH AACHEN (DE) 2009-08-06 WO disclosed
US-7361806-B2 Transgenic plants expressing a cellulase SYNGENTA PARTICIPATIONS AG (CH) 2008-04-22 US disclosed
US-5229384-A Microbiocides CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
EP-0313512-B1 BENZOTHIADIAZOLES AND THEIR USE IN PROCESSES AND COMPOSITIONS AGAINST PLANT DISEASES CIBA-GEIGY AG (CH) 1992-11-25 EP disclosed
EP-0502473-A1 Microbicidal benzo-1,2,3-thiadiazole derivatives CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed
EP-0420803-A2 Benzo-1,2,3-thiadiazole derivatives and their use for protecting plants against diseases CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
EP-0332104-A2 Chemically regulatable DNA sequences and genes and uses thereof CIBA-GEIGY AG (CH) 1989-09-13 EP disclosed
EP-0313512-A2 Benzothiadiazoles and their use in processes and compositions against plant diseases CIBA-GEIGY AG (CH) 1989-04-26 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 (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-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HAO1, HAAO, HAO2 PSMB8 886/4885MALT1 4106/4885NSD2 4787/4885

“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.