SCHEMBL286089

SCHEMBL286089

Cc1nc(CCc2conc2-c2ccccn2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.42
GABRA5 P31644 7/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL285907 0.89 LMNA (0.46) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL285790 0.84 GABRA5 (0.55) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL285758 0.82 GABRA5 (0.56) KDM4EGABRA5GAA
SCHEMBL285667 0.81 KDM4E (0.53) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL18092020 0.76 GABRA5 (0.51) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL285971 0.76 PDE10A (0.47) KDM4EKMT2AALDH1A1GABRA5SMN1; SMN2
SCHEMBL18092024 0.75 GABRA5 (0.52) KDM4EGABRA5SMN1; SMN2
SCHEMBL286497 0.72 GABRA5 (0.46) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL285884 0.71 GABRA5 (0.54) KDM4EKMT2AALDH1A1GABRA5LMNA
SCHEMBL286079 0.71 KDM4E (0.56) KDM4EKMT2AALDH1A1GABRA5LMNA

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
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 KDM4E 2938/4885KMT2A 3573/4885ALDH1A1 473/4885

“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.