SCHEMBL3979100

SCHEMBL3979100

Cc1onc(-c2ccccc2)c1C(=O)c1cc(C(=O)NCC2CC2)n(C)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
GABRA5 P31644 2/20 0.51
P2RY12 Q9H244 1/20 0.51
HIF1A Q16665 1/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3980874 0.91 GABRA5 (0.55) NPSR1GABRA5P2RY12GAATSHR
SCHEMBL3976158 0.90 GABRA5 (0.56) NPSR1GABRA5P2RY12GAATSHR
SCHEMBL3978060 0.84 KMT2A (0.50) GABRA5P2RY12USP2L3MBTL1HTT
SCHEMBL3978337 0.81 KMT2A (0.54) P2RY12USP2HTTSMN1; SMN2GAA
SCHEMBL3977186 0.80 HTT (0.68) NPSR1GABRA5HIF1AL3MBTL1HTT
SCHEMBL3978965 0.75 GPBAR1 (0.44) GABRA5P2RY12GAATSHR
SCHEMBL14546683 0.75 GABRA5 (0.44) GABRA5
SCHEMBL4604097 0.75 NPSR1 (0.53) NPSR1GABRA5HIF1AHTTSMN1; SMN2
SCHEMBL27715445 0.75 KMT2A (0.47) NPSR1GABRA5P2RY12USP2L3MBTL1
SCHEMBL3979026 0.75 TRPV1 (0.45) GABRA5P2RY12HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 NPSR1 175/4885GABRA5 1/4885P2RY12 517/4885

“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.