SCHEMBL2321175

SCHEMBL2321175

O=C(NC1CC1)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.54
HDAC4 P56524 6/20 0.45
HDAC6 Q9UBN7 3/20 0.41
TTK P33981 1/20 0.41
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
HPGDS O60760 1/20 0.40
RIPK2 O43353 1/20 0.40

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
SCHEMBL2317852 0.92 GABRA5 (0.53) GABRA5HDAC4HDAC6TTKHPGDS
SCHEMBL2317488 0.89 GABRA5 (0.58) GABRA5HDAC4
SCHEMBL2318453 0.87 GABRA5 (0.57) GABRA5HDAC4HDAC6
SCHEMBL2319408 0.87 GABRA5 (0.56) GABRA5HDAC4HDAC6
SCHEMBL2318424 0.85 PTGS2 (0.44) GABRA5
SCHEMBL2319468 0.85 GABRA5 (0.55) GABRA5
SCHEMBL2320757 0.85 GABRA5 (0.60) GABRA5HDAC4HDAC6HPGDS
SCHEMBL2318591 0.85 MAP4K4 (0.50) GABRA5
SCHEMBL2319376 0.85 PTGS2 (0.46) GABRA5
SCHEMBL2471743 0.84 GABRA5 (0.49) GABRA5RIPK2

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-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US claimed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US claimed
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 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-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885HDAC4 1839/4885HDAC6 1930/4885

“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.