SCHEMBL2049985

SCHEMBL2049985

CCC(C)n1cc(I)c(-c2cccs2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 5/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ADORA1 P30542 3/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
RPS6KB2 Q9UBS0 3/20 0.36
ADORA2A P29274 2/20 0.36
PDE10A Q9Y233 1/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL2049950 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL2050825 0.78 ADORA1 (0.44) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL26388657 0.77 LMNA (0.42) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL2053942 0.76 TDP2 (0.36) KDM5B
SCHEMBL2053905 0.75 LMNA (0.45) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL2052156 0.75 ACHE (0.30)
SCHEMBL2051546 0.74 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL2050903 0.70 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL3847403 0.66 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDADORA1NPC1
SCHEMBL11625107 0.65 ALDH1A1 (0.40) 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 4 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
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN 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 ALDH1A1 1184/4885KDM4E 2907/4885HSD17B10 4304/4885

“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.