SCHEMBL535869

SCHEMBL535869

OCc1c(-c2ccc(F)c(F)c2)noc1C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CASP3 P42574 3/20 0.37
SENP8 Q96LD8 3/20 0.37
SENP7 Q9BQF6 3/20 0.37
SENP6 Q9GZR1 2/20 0.37
GABRA5 P31644 5/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTGS2 P35354 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL535868 1.00 HTR7 (0.38) HTR7HTR6CASP3SENP8SENP7
SCHEMBL286527 0.86 CASP3 (0.48) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL286528 0.86 CASP3 (0.48) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL535809 0.84 RAB9A (0.42) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL535808 0.84 RAB9A (0.42) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL286314 0.84 KMT2A (0.48) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL286313 0.84 KMT2A (0.48) CASP3SENP8SENP7SENP6GABRA5
SCHEMBL535874 0.81 KMT2A (0.43) HTR7HTR6CASP3SENP8SENP7
SCHEMBL535875 0.81 KMT2A (0.43) HTR7HTR6CASP3SENP8SENP7
SCHEMBL2961416 0.76 GABRA5 (0.50) GABRA5KMT2AKDM4EMEN1HSD17B10

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 HTR7 125/4885HTR6 538/4885CASP3 3536/4885

“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.