SCHEMBL2317839

SCHEMBL2317839

O=C(NC1CC1)c1ccc(-n2cnc(-c3c(-c4ccc(Cl)cc4)noc3C(F)(F)F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.49
HDAC4 P56524 1/20 0.40
HPGDS O60760 3/20 0.39
RIPK2 O43353 1/20 0.38
CNR1 P21554 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL2319074 0.95 GABRA5 (0.52) GABRA5HDAC4HPGDS
SCHEMBL2317488 0.93 GABRA5 (0.58) GABRA5HDAC4
SCHEMBL2320601 0.92 GABRA5 (0.57) GABRA5HPGDS
SCHEMBL2321375 0.88 GABRA5 (0.53) GABRA5HDAC4
SCHEMBL2320757 0.88 GABRA5 (0.60) GABRA5HDAC4HPGDS
SCHEMBL2318316 0.87 GABRA5 (0.60) GABRA5HDAC4HPGDS
SCHEMBL2319476 0.87 GABRA5 (0.51) GABRA5HPGDSFAAH
SCHEMBL2320929 0.86 GABRA5 (0.51) GABRA5
SCHEMBL2318208 0.85 GABRA5 (0.47) GABRA5
SCHEMBL2321175 0.82 GABRA5 (0.54) GABRA5HDAC4HPGDSRIPK2

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 10 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
EP-2170873-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-04-07 EP claimed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US claimed
WO-2009000662-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 WO 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
EP-2170873-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-04-07 EP disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
WO-2009000662-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 WO 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 1839/4885HPGDS 3315/4885

“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.