SCHEMBL1823362

SCHEMBL1823362

COCc1nc(-n2cncn2)ccc1C(=O)C1C(=O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CD38 P28907 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1824291 0.86 MAPT (0.31) MAPTKDM4E
SCHEMBL1826201 0.83 KDM4E (0.35) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822657 0.81 STING1 (0.40) MAPTCD38HSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1825087 0.79 STING1 (0.39) MAPTCD38HSP90AA1HTTSMN1; SMN2
SCHEMBL1825085 0.79 MAPT (0.38) MAPTCD38HSP90AA1HTTSMN1; SMN2
SCHEMBL1825211 0.79 MEN1 (0.32) MAPTCD38HSP90AA1HTTSMN1; SMN2
SCHEMBL1825838 0.78 HPD (0.40) SMN1; SMN2
SCHEMBL1826191 0.77 CD38 (0.36) MAPTCD38HSP90AA1HTTSMN1; SMN2
SCHEMBL1824077 0.74 MAPT (0.35) MAPTCD38HSP90AA1HTTSMN1; SMN2
SCHEMBL27810738 0.73

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 2616/4885CD38 3937/4885HSP90AA1 480/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885CD38 3862/4885HSP90AA1 617/4885

“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.