SCHEMBL535806

SCHEMBL535806

OCc1c(-c2ccc(F)cn2)noc1C=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.43
CASP3 P42574 5/20 0.36
SENP8 Q96LD8 5/20 0.36
SENP7 Q9BQF6 5/20 0.36
SENP6 Q9GZR1 4/20 0.36
NFE2L2 Q16236 2/20 0.36
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL535805 1.00 GABRA5 (0.43) GABRA5CASP3SENP8SENP7SENP6
SCHEMBL535835 0.83 GABRA5 (0.42) GABRA5NPC1RAB9AL3MBTL1TP53
SCHEMBL535834 0.83 GABRA5 (0.42) GABRA5NPC1RAB9AL3MBTL1TP53
SCHEMBL286527 0.83 CASP3 (0.48) GABRA5CASP3SENP8SENP7SENP6
SCHEMBL286528 0.83 CASP3 (0.48) GABRA5CASP3SENP8SENP7SENP6
SCHEMBL535861 0.81 GABRA5 (0.43) GABRA5CASP3SENP8SENP7SENP6
SCHEMBL535860 0.81 GABRA5 (0.43) GABRA5CASP3SENP8SENP7SENP6
SCHEMBL535762 0.79 GABRA5 (0.72) GABRA5
SCHEMBL535763 0.79 GABRA5 (0.72) GABRA5
SCHEMBL535808 0.78 RAB9A (0.42) GABRA5CASP3SENP8SENP7SENP6

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
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 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-20100256127-A1 SUBSTITUTED ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885CASP3 3536/4885SENP8 4028/4885

“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.