SCHEMBL286103

SCHEMBL286103

Cc1onc(-c2ccccc2)c1/C=C/c1ncc(C(=O)NCCO)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.50
HDAC6 Q9UBN7 6/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2749575 0.92 HDAC6 (0.48) GABRA5HDAC6HDAC1HDAC3HDAC4
SCHEMBL285891 0.85 GABRA5 (0.51) GABRA5HDAC6HDAC1ALDH1A1
SCHEMBL18092060 0.85 GABRA5 (0.47) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL286233 0.84 HDAC6 (0.45) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL286234 0.84 HDAC6 (0.45) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL2749573 0.84 GABRA5 (0.48) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL285730 0.84 GABRA5 (0.48) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL286048 0.83 GABRA5 (0.53) GABRA5HDAC6HDAC1HDAC3HDAC4
SCHEMBL286182 0.82 GABRA5 (0.46) GABRA5HDAC6HDAC1HDAC3HDAC4
SCHEMBL2750153 0.81 GABRA5 (0.52) GABRA5

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 7 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
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 1/4885HDAC6 985/4885HDAC1 2167/4885

“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.