SCHEMBL1822258

SCHEMBL1822258

CCO/C=C(/C(=O)c1ccc(-n2cncn2)nc1C)C(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
CD38 P28907 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL1822818 1.00 MAPT (0.41) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822260 1.00 MAPT (0.41) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822771 0.88 MAPT (0.37) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822776 0.88 MAPT (0.37) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL2420856 0.88 MAPT (0.37) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1825114 0.87 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1825111 0.87 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL2400933 0.87 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822718 0.86 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822720 0.86 MAPT (0.36) MAPTHSP90AA1HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP 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 (2 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2616/4885HSP90AA1 480/4885HTT 719/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885HSP90AA1 617/4885HTT 621/4885

“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.