SCHEMBL285969

SCHEMBL285969

CCCCc1noc(C)c1/C=C/c1ncc(C(=O)NCCO)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GABRA5 P31644 3/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRA1 P14867 2/20 0.32
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
SCHEMBL286009 0.94 POLB (0.37) STAT3SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL286010 0.85 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1GABRA5TP53GAA
SCHEMBL286008 0.85 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1GABRA5TP53GAA
SCHEMBL18092076 0.85 ALDH1A1 (0.34) SMN1; SMN2RAB9ANPC1ALDH1A1GABRA5
SCHEMBL286258 0.84 PRKAB2 (0.38) SMN1; SMN2ALDH1A1KDM4EGABRA5TP53
SCHEMBL286257 0.84 PRKAB2 (0.38) SMN1; SMN2ALDH1A1KDM4EGABRA5TP53
SCHEMBL285783 0.81 SCD (0.33) STAT3SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL285526 0.81 SCD (0.33) STAT3SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL286103 0.78 GABRA5 (0.50) ALDH1A1GABRA5GAAHTT
SCHEMBL286071 0.78 GABRA5 (0.41) GABRA5GABRA1

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 STAT3 2097/4885SMN1; SMN2 3066/4885RAB9A 2227/4885

“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.