SCHEMBL3975800

SCHEMBL3975800

COC(=O)c1cc(C(=O)c2c(-c3ccccc3Br)noc2C)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
GHSR Q92847 1/20 0.46
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA5 P31644 1/20 0.40

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
SCHEMBL3977232 0.88 SMN1; SMN2 (0.50) ALDH1A1LMNASMN1; SMN2HTTGHSR
SCHEMBL3975766 0.88 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HTTGPBAR1
SCHEMBL3974280 0.88 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2GPBAR1MAPT
SCHEMBL3982594 0.85 SMN1; SMN2 (0.63) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL3978223 0.83 RAB9A (0.53) ALDH1A1LMNASMN1; SMN2HTTCACNA1F
SCHEMBL3977013 0.82 SMN1; SMN2 (0.52) ALDH1A1LMNASMN1; SMN2HTTCACNA1F
SCHEMBL27715421 0.81 GHSR (0.44) ALDH1A1LMNASMN1; SMN2HTTGHSR
SCHEMBL14546845 0.81 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2HTTGPBAR1
SCHEMBL3977188 0.80 SMN1; SMN2 (0.55) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL27715422 0.79 GHSR (0.46) ALDH1A1LMNASMN1; SMN2HTTGHSR

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 10 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-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 ALDH1A1 435/4885LMNA 4188/4885SMN1; 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.