SCHEMBL1825838

SCHEMBL1825838

O=C1CCCC(=O)C1C(=O)c1ccc(-n2cncn2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MGLL Q99685 1/20 0.33
STING1 Q86WV6 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
SCHEMBL1826201 0.83 KDM4E (0.35) HPDSMN1; SMN2
SCHEMBL1827337 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNASTING1
Hydrochloric Acid SCHEMBL1827340 0.78 STING1 (0.43) SMN1; SMN2LMNASTING1
SCHEMBL1823362 0.78 MAPT (0.33) SMN1; SMN2
SCHEMBL8182356 0.78 HPD (0.42) HPDSMN1; SMN2
SCHEMBL1824291 0.78 MAPT (0.31)
SCHEMBL1826021 0.75 SMN1; SMN2 (0.36) SMN1; SMN2LMNASTING1
SCHEMBL1822485 0.72 PDE2A (0.38) SMN1; SMN2LMNAMGLLSTING1
SCHEMBL8176844 0.71 F9 (0.41) SMN1; SMN2LMNA
SCHEMBL8175966 0.71 HSP90AA1 (0.40) SMN1; SMN2

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 HPD 11/4885SMN1; SMN2 4529/4885LMNA 4818/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK HPD 14/4885SMN1; SMN2 4574/4885LMNA 4780/4885

“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.