SCHEMBL285697

SCHEMBL285697

CCCCc1noc(C)c1CCc1ncc(C(=O)N[C@@H](C)CO)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SNCA P37840 1/20 0.33
HDAC4 P56524 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
FDPS P14324 1/20 0.31
EPHX2 P34913 1/20 0.31
GABRA1 P14867 4/20 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
SCHEMBL286220 1.00 GABRA5 (0.38) GABRA5L3MBTL1ALDH1A1SMN1; SMN2SNCA
SCHEMBL286244 0.91 L3MBTL1 (0.39) GABRA5L3MBTL1ALDH1A1SMN1; SMN2SNCA
SCHEMBL286095 0.85 GABRA5 (0.43) GABRA5L3MBTL1GABRA1
SCHEMBL18091974 0.85 GABRA5 (0.35) GABRA5L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18092035 0.85 GABRA5 (0.35) GABRA5L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL285764 0.85 GABRA5 (0.38) GABRA5L3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL286245 0.84 POLB (0.40) L3MBTL1ALDH1A1SMN1; SMN2TP53GAA
SCHEMBL2750501 0.82 HCAR2 (0.38) GABRA5L3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL285886 0.82 L3MBTL1 (0.38) GABRA5L3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL285587 0.82 ZAP70 (0.35) GABRA5L3MBTL1ALDH1A1HDAC4TP53

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 GABRA5 1/4885L3MBTL1 4666/4885ALDH1A1 473/4885

“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.