SCHEMBL286048

SCHEMBL286048

Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NCCO)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.53
SMN1; SMN2 Q16637 1/20 0.40
SLC8A1 P32418 3/20 0.38
GABRA1 P14867 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
STAT3 P40763 1/20 0.33

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
SCHEMBL285965 0.93 GABRA5 (0.45) GABRA5SMN1; SMN2SLC8A1HDAC3HDAC4
SCHEMBL286051 0.91 GABRA5 (0.51) GABRA5GABRA1HDAC3HDAC4HDAC1
SCHEMBL286050 0.91 GABRA5 (0.51) GABRA5GABRA1HDAC3HDAC4HDAC1
SCHEMBL285793 0.88 GABRA5 (0.54) GABRA5GABRA1
SCHEMBL284088 0.88 GABRA5 (0.41) GABRA5SMN1; SMN2GABRA1
SCHEMBL284089 0.88 GABRA5 (0.41) GABRA5SMN1; SMN2GABRA1
SCHEMBL286018 0.87 GABRA5 (0.45) GABRA5GABRA1HDAC3HDAC4HDAC6
SCHEMBL286019 0.87 GABRA5 (0.45) GABRA5GABRA1HDAC3HDAC4HDAC6
SCHEMBL285856 0.86 GABRA5 (0.40) GABRA5GABRA1
SCHEMBL18092018 0.86 GABRA5 (0.49) GABRA5SMN1; SMN2GABRA1

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 GABRA5 1/4885SMN1; SMN2 3066/4885SLC8A1 778/4885

“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.