SCHEMBL1825211

SCHEMBL1825211

COCc1nc(-n2cncn2)ccc1C(=O)C1=C(Cl)CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
CD38 P28907 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1823873 0.88
SCHEMBL1827024 0.85 MEN1 (0.32) MEN1KMT2AMAPTHSP90AA1HTT
SCHEMBL1823362 0.79 MAPT (0.33) MEN1KMT2AMAPTCD38HSP90AA1
SCHEMBL1825085 0.78 MAPT (0.38) MEN1KMT2AMAPTCD38HSP90AA1
SCHEMBL1822657 0.77 STING1 (0.40) MEN1KMT2AMAPTCD38HSP90AA1
Hydrochloric Acid SCHEMBL1825087 0.76 STING1 (0.39) MEN1KMT2AMAPTCD38HSP90AA1
SCHEMBL15489015 0.74 KDM4E (0.33) MAPTHSP90AA1HTTSMN1; SMN2
SCHEMBL1824077 0.73 MAPT (0.35) MEN1KMT2AMAPTCD38HSP90AA1
SCHEMBL1826191 0.71 CD38 (0.36) MEN1KMT2AMAPTCD38HSP90AA1
SCHEMBL1827779 0.70 PDE2A (0.39) MEN1KMT2AMAPTCD38

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 MEN1 4606/4885KMT2A 590/4885MAPT 2616/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MEN1 4695/4885KMT2A 577/4885MAPT 2532/4885

“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.