SCHEMBL286158

SCHEMBL286158

CCCCc1noc(C)c1CCc1nc(C)c(C(=O)NCC(C)(C)O)s1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GABRA5 P31644 2/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL286187 0.88 POLB (0.38) TLR8TLR7L3MBTL1TP53GAA
SCHEMBL286011 0.84 L3MBTL1 (0.34) L3MBTL1GABRA5TP53GAAKLKB1
SCHEMBL18092010 0.84 TLR8 (0.33) TLR8TLR7L3MBTL1GABRA5ALDH1A1
SCHEMBL286186 0.83 L3MBTL1 (0.37) L3MBTL1GABRA5TP53GAAKLKB1
SCHEMBL285957 0.82 ALDH1A1 (0.38) L3MBTL1GABRA5TP53GAANPC1
SCHEMBL285984 0.81 POLB (0.43) L3MBTL1TP53GAANPC1HPGD
SCHEMBL285935 0.81 L3MBTL1 (0.35) L3MBTL1GABRA5TP53GAAALDH1A1
SCHEMBL285587 0.80 ZAP70 (0.35) L3MBTL1GABRA5TP53GAAALDH1A1
SCHEMBL286081 0.80 ZAP70 (0.35) L3MBTL1GABRA5TP53GAAALDH1A1
SCHEMBL286242 0.80 ZAP70 (0.35) L3MBTL1GABRA5TP53GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127974-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286116-A1 THIAZOLES 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-20100286116-A1 THIAZOLES GABRA5, GABRA1, GABRA4 TLR8 2066/4885TLR7 967/4885L3MBTL1 4666/4885

“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.