SCHEMBL285975

SCHEMBL285975

CCCCc1noc(C)c1C(O)Cc1ncc(C(=O)OC)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
FDPS P14324 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRA5 P31644 2/20 0.30
FAAH O00519 2/20 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
SCHEMBL286026 0.82 POLB (0.41) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL285886 0.82 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL13447371 0.76 TSHR (0.41) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL2750501 0.72 HCAR2 (0.38) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL286244 0.71 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1GABRA5
SCHEMBL285698 0.71 KMT2A (0.39) ALDH1A1SMN1; SMN2L3MBTL1HTTCDC7
SCHEMBL286470 0.71 KMT2A (0.39) ALDH1A1SMN1; SMN2L3MBTL1HTTCDC7
SCHEMBL5887745 0.70 NPSR1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL285764 0.69 GABRA5 (0.38) ALDH1A1SMN1; SMN2L3MBTL1TP53GAA
SCHEMBL286245 0.68 POLB (0.40) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT

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 ALDH1A1 473/4885SMN1; SMN2 3066/4885L3MBTL1 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.