SCHEMBL286009

SCHEMBL286009

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 4/20 0.33
TP53 P04637 3/20 0.33
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ESR1 P03372 1/20 0.33
JMJD7 P0C870 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
PKM P14618 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
SCHEMBL285969 0.94 STAT3 (0.35) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL286008 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1GAATP53L3MBTL1
SCHEMBL286010 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1GAATP53L3MBTL1
SCHEMBL286257 0.86 PRKAB2 (0.38) SMN1; SMN2ALDH1A1GAATP53L3MBTL1
SCHEMBL286258 0.86 PRKAB2 (0.38) SMN1; SMN2ALDH1A1GAATP53L3MBTL1
SCHEMBL285700 0.80 POLB (0.35) POLBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2749575 0.80 HDAC6 (0.48) ALDH1A1GAAL3MBTL1MAPT
SCHEMBL286047 0.79 CDC7 (0.34) SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL18092076 0.79 ALDH1A1 (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL286245 0.78 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2ALDH1A1

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 10 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
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 POLB 4094/4885RAB9A 2227/4885NPC1 640/4885

“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.