SCHEMBL3061845

SCHEMBL3061845

Cn1c(C(F)(F)F)ccc(C(=O)C(C#N)C(=O)C2CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.32
XBP1 P17861 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
XDH P47989 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL3954105 0.75 DHODH (0.37) ALDH1A1HPGDMEN1KMT2A
SCHEMBL1224926 0.74 AR (0.31)
SCHEMBL8606823 0.71 AR (0.37) SMN1; SMN2GAAALDH1A1HPGDMEN1
SCHEMBL9240668 0.71 CTSC (0.31)
SCHEMBL8607171 0.70 CACNA1B (0.43)
SCHEMBL8726557 0.70
SCHEMBL1071604 0.70 CACNA1B (0.45) ALDH1A1HPGD
SCHEMBL18422535 0.70 CACNA1B (0.45) ALDH1A1HPGD
SCHEMBL14364710 0.70 GSK3B (0.47) GAA
SCHEMBL3051505 0.69 RAB9A (0.48) RAB9ASMN1; SMN2GAALMNANPC1

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
US-8076487-B2 Pyridone derivative and herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-13 US disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 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 (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-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 RAB9A 3769/4885SMN1; SMN2 3804/4885GAA 3647/4885

“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.