SCHEMBL2050232

SCHEMBL2050232

CCCc1cc(-c2cccs2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.43
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 5/20 0.41
POLB P06746 4/20 0.41
GAA P10253 4/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
GFER P55789 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
ADORA1 P30542 3/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL513361 0.83 FYN (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL27890781 0.83 SLC16A3 (0.38) ALDH1A1KDM4EHSD17B10GAATP53
SCHEMBL513700 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL435263 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10POLBGAA
SCHEMBL14232845 0.76 NPC1 (0.41) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL2049752 0.75 KDM4E (0.39) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL2050759 0.73 ALDH1A1 (0.43) SREBF2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27581007 0.72 TLR7 (0.39) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL4548028 0.71 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4548038 0.71 KDM4E (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA

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 SREBF2 4864/4885ALDH1A1 1184/4885KDM4E 2907/4885

“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.