SCHEMBL2051578

SCHEMBL2051578

CN(C)C=C(C(=O)c1sccc1Cl)c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM4 Q14833 4/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 3/20 0.34
FAAH O00519 1/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDR P35968 2/20 0.31
AGTR1 P30556 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
ABL1 P00519 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL2051576 1.00 MAPT (0.43) MAPTALDH1A1HTTKMT2AGRM4
SCHEMBL2050074 0.82 MAPT (0.47) MAPTALDH1A1HTTKMT2AGAA
SCHEMBL2050076 0.82 MAPT (0.47) MAPTALDH1A1HTTKMT2AGAA
SCHEMBL2043620 0.78 ALDH1A1 (0.43) MAPTALDH1A1KMT2AGRM4P2RX7
SCHEMBL2388511 0.78 ALDH1A1 (0.43) MAPTALDH1A1KMT2AGRM4P2RX7
SCHEMBL5240764 0.72 CES2 (0.41) MAPTALDH1A1HTTP2RX7GAA
SCHEMBL4054086 0.72 CES2 (0.41) MAPTALDH1A1HTTP2RX7GAA
SCHEMBL4054082 0.72 CES2 (0.41) MAPTALDH1A1HTTP2RX7GAA
SCHEMBL4051492 0.70 CES2 (0.44) ALDH1A1KMT2AP2RX7FAAHPKM
SCHEMBL4051496 0.70 CES2 (0.44) ALDH1A1KMT2AP2RX7FAAHPKM

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 MAPT 3927/4885ALDH1A1 1184/4885HTT 1789/4885

“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.