SCHEMBL285572

SCHEMBL285572

Cc1onc(-c2ccccc2)c1CNc1ncc(C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.59
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL285974 0.88 GABRA5 (0.66) GABRA5ALDH1A1
SCHEMBL2750054 0.87 GABRA5 (0.56) GABRA5ALDH1A1KDM4E
SCHEMBL5581299 0.83 GABRA5 (0.69) GABRA5
SCHEMBL18092067 0.80 GABRA5 (0.61) GABRA5ALDH1A1KDM4E
SCHEMBL286254 0.80 GABRA5 (0.48) GABRA5ALDH1A1
SCHEMBL286305 0.79 GABRA5 (0.58) GABRA5
SCHEMBL2926069 0.76 GABRA5 (0.66) GABRA5ALDH1A1KDM4ENPSR1MAPT
SCHEMBL2933116 0.76 GABRA5 (0.82) GABRA5
SCHEMBL18092021 0.76 GABRA5 (0.62) GABRA5
SCHEMBL2931496 0.74 GABRA5 (0.74) GABRA5ALDH1A1NPSR1MAPT

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 9 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
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US 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
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
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US 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

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 1/4885ALDH1A1 473/4885KDM4E 2938/4885

“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.