SCHEMBL286186

SCHEMBL286186

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GABRA5 P31644 8/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CHRM4 P08173 1/20 0.32
LMNA P02545 1/20 0.32
KLKB1 P03952 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL286081 0.91 ZAP70 (0.35) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL285587 0.91 ZAP70 (0.35) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL286242 0.91 ZAP70 (0.35) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL285935 0.90 L3MBTL1 (0.35) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL286011 0.87 L3MBTL1 (0.34) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL286187 0.86 POLB (0.38) L3MBTL1GAATP53ALDH1A1POLB
SCHEMBL285984 0.86 POLB (0.43) L3MBTL1GAATP53ALDH1A1GLA
SCHEMBL18092080 0.85 L3MBTL1 (0.34) L3MBTL1GAATP53ALDH1A1GLA
SCHEMBL285957 0.85 ALDH1A1 (0.38) L3MBTL1GAATP53ALDH1A1GABRA5
SCHEMBL285588 0.84 KMT2A (0.41) L3MBTL1ALDH1A1GLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
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
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 claimed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US 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
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
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
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
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 L3MBTL1 4666/4885GAA 826/4885TP53 3597/4885

“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.