SCHEMBL3978061

SCHEMBL3978061

Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)N2CCC(O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.53
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL13842398 0.91 GABRA5 (0.44) GABRA5HTTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL13842378 0.89 KMT2A (0.54) HTTSMN1; SMN2HCRTR1HCRTR2KMT2A
SCHEMBL3981277 0.87 HTT (0.51) HTTSMN1; SMN2HCRTR1HCRTR2KMT2A
SCHEMBL13842384 0.86 KMT2A (0.68) HTTSMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL13842391 0.86 KMT2A (0.52) HTTSMN1; SMN2HCRTR1HCRTR2KMT2A
SCHEMBL3981719 0.86 KDM4E (0.53) GABRA5HTTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL3981722 0.86 KDM4E (0.53) GABRA5HTTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL13842392 0.85 KMT2A (0.67) GABRA5HTTSMN1; SMN2KMT2ALMNA
SCHEMBL3976634 0.85 LMNA (0.70) HTTSMN1; SMN2HCRTR1HCRTR2KMT2A
SCHEMBL13842388 0.85 TSHR (0.69) GABRA5HTTSMN1; SMN2KMT2ALMNA

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
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
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 GABRA5 1/4885HTT 2677/4885SMN1; SMN2 3215/4885

“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.