SCHEMBL285907

SCHEMBL285907

COC(=O)c1sc(CCc2conc2-c2ccccn2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GABRA5 P31644 8/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL286089 0.89 KDM4E (0.53) LMNAGABRA5KDM4EGAAKMT2A
SCHEMBL285790 0.83 GABRA5 (0.55) LMNAGABRA5KDM4EGAAKMT2A
SCHEMBL285884 0.82 GABRA5 (0.54) LMNAGABRA5KDM4EGAAKMT2A
SCHEMBL285758 0.81 GABRA5 (0.56) GABRA5KDM4EGAA
SCHEMBL18092020 0.78 GABRA5 (0.51) LMNAGABRA5KDM4EGAAKMT2A
SCHEMBL18092024 0.76 GABRA5 (0.52) GABRA5KDM4ERAB9A
SCHEMBL285971 0.73 PDE10A (0.47) GABRA5KDM4EKMT2AALDH1A1RAB9A
SCHEMBL1312946 0.72 LMNA (0.76) LMNAKDM4EGAAKMT2AALDH1A1
SCHEMBL286159 0.71 LMNA (0.47) LMNAGABRA5KDM4EGAAKMT2A
SCHEMBL285667 0.71 KDM4E (0.53) LMNAGABRA5KDM4EGAAKMT2A

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 5 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
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 LMNA 3804/4885GABRA5 1/4885KDM4E 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.