SCHEMBL286182

SCHEMBL286182

Cc1nc(/C=C/c2c(-c3ccccc3)noc2C)sc1C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.46
HDAC6 Q9UBN7 8/20 0.46
HDAC1 Q13547 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC5 Q9UQL6 1/20 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
SCD O00767 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
SCHEMBL286452 0.92 HPGD (0.46) HDAC6HDAC1L3MBTL1NPC1HPGD
SCHEMBL286041 0.84 SMN1; SMN2 (0.49) HDAC6HDAC1L3MBTL1SMN1; SMN2MEN1
SCHEMBL286040 0.84 SMN1; SMN2 (0.49) HDAC6HDAC1L3MBTL1SMN1; SMN2MEN1
SCHEMBL286453 0.84 GABRA5 (0.53) GABRA5HDAC6NPC1HPGDSMN1; SMN2
SCHEMBL286451 0.84 GABRA5 (0.53) GABRA5HDAC6NPC1HPGDSMN1; SMN2
SCHEMBL18091989 0.84 HDAC6 (0.44) GABRA5HDAC6HDAC1L3MBTL1HPGD
SCHEMBL285937 0.83 ALDH1A1 (0.48) GABRA5HDAC6HDAC1NPC1HPGD
SCHEMBL285938 0.83 ALDH1A1 (0.48) GABRA5HDAC6HDAC1NPC1HPGD
SCHEMBL286103 0.82 GABRA5 (0.50) GABRA5HDAC6HDAC1L3MBTL1MEN1
SCHEMBL285890 0.80 GABRA5 (0.52) GABRA5ALDH1A1HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.