SCHEMBL2050809

SCHEMBL2050809

CCCn1ccc(-c2cc(C)cs2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.40
TDP2 O95551 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32

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
SCHEMBL2050605 0.88 MET (0.41) METTDP2ALDH1A1KDM4EMAPT
SCHEMBL2053087 0.80 MET (0.42) METTDP2KMT2AGRIN2BGRIN1
SCHEMBL2051571 0.74 MET (0.39) METTDP2GRIN2BGRIN1
SCHEMBL2053284 0.72 DYRK1A (0.40) METTDP2GRIN2BGRIN1BACE1
SCHEMBL2050729 0.72 JMJD6 (0.37) TDP2ALDH1A1KDM4EMAPTTDP1
SCHEMBL29291878 0.71 JMJD6 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2050517 0.71 TDP2 (0.35) TDP2GRIN2B
SCHEMBL15338801 0.67 KMT2A (0.60) ALDH1A1KDM4EMAPTTDP1NPC1
SCHEMBL293669 0.67
SCHEMBL2053197 0.67 NR3C2 (0.42) METTDP2GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 MET 3340/4885TDP2 2004/4885ALDH1A1 1184/4885

“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.