SCHEMBL286369

SCHEMBL286369

CCCCc1noc(C)c1COc1cc(C(=O)O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
GABRA5 P31644 10/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 6/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL286377 0.91 GABRA5 (0.39) GABRA5L3MBTL1HTT
SCHEMBL286484 0.88 NR1H4 (0.37) NR1H4GABRA5
SCHEMBL285772 0.87 GABRA5 (0.42) GABRA5GABRA1
SCHEMBL285773 0.87 POLB (0.40) GABRA5L3MBTL1GABRA1
SCHEMBL286142 0.85 GABRA1 (0.43) GABRA5GABRA1
SCHEMBL286143 0.85 ALDH1A1 (0.35) NR1H4GABRA5GAAL3MBTL1GABRA1
SCHEMBL286709 0.85 KMT2A (0.40) GABRA5GAAL3MBTL1GABRA1HTT
SCHEMBL286209 0.84 GABRA5 (0.44) GABRA5GABRA1
SCHEMBL2098530 0.82 GABRA5 (0.52) GABRA5GABRA1
SCHEMBL2672703 0.81 SMPD1 (0.44) GABRA5GAAL3MBTL1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 NR1H4 369/4885GABRA5 1/4885GAA 1650/4885

“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.