SCHEMBL2388511

SCHEMBL2388511

CN(C)/C=C(/C(=O)c1ccc(Cl)s1)c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
F2 P00734 1/20 0.36
DAO P14920 1/20 0.36
GRM4 Q14833 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
GSK3B P49841 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL2043620 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EGAAP2RX7KMT2A
SCHEMBL2044450 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2051564 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2052241 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2052243 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2051576 0.78 MAPT (0.43) ALDH1A1GAAP2RX7KMT2AGRM4
SCHEMBL2051578 0.78 MAPT (0.43) ALDH1A1GAAP2RX7KMT2AGRM4
SCHEMBL2054268 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2054269 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2053724 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US 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.