SCHEMBL5161145

SCHEMBL5161145

Cc1nc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
CRACR2A Q9BSW2 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PDE2A O00408 3/20 0.37

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
SCHEMBL27656222 0.80 LMNA (0.56) GAALMNANPC1RAB9A
SCHEMBL6488655 0.80 PDE2A (0.37) DHODHCRACR2ALMNAPDE2A
SCHEMBL27513121 0.78 DHODH (0.46) DHODHCRACR2ALMNAPDE2A
SCHEMBL6912863 0.78 CACNA1B (0.42) DHODHCRACR2A
SCHEMBL6429871 0.78 LMNA (0.37) CRACR2AGAALMNANPC1RAB9A
SCHEMBL6429850 0.77 LMNA (0.36) CRACR2AGAALMNANPC1RAB9A
SCHEMBL8489345 0.76 DHODH (0.49) DHODHCRACR2ALMNANPC1RAB9A
SCHEMBL28011695 0.76 DHODH (0.41) DHODHCRACR2ALMNANPC1RAB9A
SCHEMBL1223835 0.76 DHODH (0.41) DHODHCRACR2ALMNANPC1RAB9A
SCHEMBL29547482 0.76 DHODH (0.49) DHODHCRACR2ALMNANPC1RAB9A

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
EP-1758896-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2007-03-07 EP disclosed
WO-2005123726-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-12-29 WO disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 US 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-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 DHODH 807/4885CRACR2A 4797/4885GAA 2629/4885

“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.