SCHEMBL285886

SCHEMBL285886

CCCCc1noc(C)c1CCc1ncc(C(=O)OC)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
GABRA5 P31644 11/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AGTR1 P30556 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL2750501 0.90 HCAR2 (0.38) L3MBTL1GABRA5ALDH1A1SMN1; SMN2LMNA
SCHEMBL286244 0.86 L3MBTL1 (0.39) L3MBTL1GABRA5ALDH1A1SMN1; SMN2
SCHEMBL286470 0.86 KMT2A (0.39) L3MBTL1ALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL285698 0.86 KMT2A (0.39) L3MBTL1ALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL286245 0.85 POLB (0.40) L3MBTL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL285975 0.82 ALDH1A1 (0.35) L3MBTL1GABRA5ALDH1A1SMN1; SMN2CDC7
SCHEMBL286220 0.82 GABRA5 (0.38) L3MBTL1GABRA5ALDH1A1SMN1; SMN2TP53
SCHEMBL285697 0.82 GABRA5 (0.38) L3MBTL1GABRA5ALDH1A1SMN1; SMN2TP53
SCHEMBL285764 0.82 GABRA5 (0.38) L3MBTL1GABRA5ALDH1A1SMN1; SMN2TP53
SCHEMBL13447371 0.81 TSHR (0.41) L3MBTL1ALDH1A1SMN1; SMN2CDC7DBF4

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 5 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 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

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 4666/4885GABRA5 1/4885ALDH1A1 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.