SCHEMBL285900

SCHEMBL285900

O=Cc1conc1-c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.43
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRM5 P41594 3/20 0.33
PTGS2 P35354 2/20 0.33
TGFBR1 P36897 1/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL1777112 0.75 GABRA5 (0.46) GABRA5GRM5TGFBR1NPC1RXFP1
SCHEMBL28944688 0.74 GABRA5 (0.48) GABRA5
SCHEMBL286310 0.73 GABRA5 (0.53) GABRA5MAPK13MAPK12MAPK11MAPK14
SCHEMBL27793433 0.73 GABRA5 (0.50) GABRA5MAPK13MAPK12MAPK11MAPK14
SCHEMBL27865421 0.72 GABRA5 (0.55) GABRA5
SCHEMBL27865420 0.71 GABRA5 (0.48) GABRA5PTGS2NPC1RXFP1
SCHEMBL24013694 0.71 PTPN1 (0.36) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL285616 0.71 GABRA5 (0.46) GABRA5GRM5PTGS2
SCHEMBL286222 0.70 GABRA5 (0.39) GABRA5
SCHEMBL286223 0.70 GABRA5 (0.39) GABRA5

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 1/4885MAPK13 4576/4885MAPK12 4601/4885

“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.