SCHEMBL2051564

SCHEMBL2051564

CN(C)/C=C(/C(=O)c1ccc(Cl)s1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.40
F2 P00734 1/20 0.39
DAO P14920 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.36
GSK3B P49841 1/20 0.36
TSHR P16473 1/20 0.36
STAT3 P40763 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL2044450 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHTTF2
SCHEMBL2044585 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAAF2DAO
SCHEMBL2053724 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAAF2DAO
SCHEMBL2388511 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAF2DAO
SCHEMBL2043620 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAF2DAO
SCHEMBL6102525 0.80 CYP11B1 (0.52) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL4098983 0.80 CYP11B1 (0.52) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL6102524 0.80 CYP11B1 (0.52) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL5257409 0.80 CYP11B1 (0.52) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL14519363 0.77 KMT2A (0.50) ALDH1A1KDM4EHTTLMNARAB9A

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 ALDH1A1 1184/4885KDM4E 2907/4885GAA 2423/4885

“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.