SCHEMBL286079

SCHEMBL286079

CNC(=O)c1sc(CCc2c(-c3ccccn3)noc2C)nc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
GAA P10253 1/20 0.56
GABRA5 P31644 10/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
ITGA5 P08648 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL286063 0.90 KDM4E (0.44) KDM4EGAAGABRA5KMT2AHPGD
SCHEMBL286169 0.90 GABRA5 (0.56) KDM4EGAAGABRA5LMNAITGA5
SCHEMBL285667 0.89 KDM4E (0.53) KDM4EGAAGABRA5ALDH1A1KMT2A
SCHEMBL286170 0.89 GABRA5 (0.43) KDM4EGAAGABRA5ALDH1A1LMNA
SCHEMBL285707 0.89 GABRA5 (0.43) KDM4EGAAGABRA5ITGA5
SCHEMBL285884 0.88 GABRA5 (0.54) KDM4EGAAGABRA5ALDH1A1KMT2A
SCHEMBL286497 0.88 GABRA5 (0.46) KDM4EGAAGABRA5ALDH1A1KMT2A
SCHEMBL286083 0.88 GABRA5 (0.56) KDM4EGAAGABRA5KMT2AITGA5
SCHEMBL285970 0.87 GABRA5 (0.58) KDM4EGAAGABRA5ITGA5
SCHEMBL286446 0.86 GABRA5 (0.57) KDM4EGAAGABRA5ITGA5

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 16 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
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
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
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
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 KDM4E 2938/4885GAA 826/4885GABRA5 1/4885

“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.