SCHEMBL3977232

SCHEMBL3977232

Cc1onc(-c2ccccc2Br)c1C(=O)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
GHSR Q92847 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3975800 0.88 ALDH1A1 (0.49) SMN1; SMN2HTTGHSRALDH1A1LMNA
SCHEMBL3977573 0.87 HSD17B10 (0.58) ALDH1A1LMNAMAPTGAAGPBAR1
SCHEMBL3976223 0.87 HTT (0.50) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL3977220 0.85 HTT (0.65) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL27715422 0.84 GHSR (0.46) SMN1; SMN2HTTGHSRALDH1A1LMNA
SCHEMBL3973666 0.82 HTT (0.54) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL27715421 0.82 GHSR (0.44) SMN1; SMN2HTTGHSRALDH1A1LMNA
SCHEMBL3983122 0.82 GPBAR1 (0.44) SMN1; SMN2HTTGHSRALDH1A1LMNA
SCHEMBL3975091 0.81 HTT (0.54) SMN1; SMN2HTTALDH1A1LMNAMAPT
Propyne SCHEMBL4948649 0.80 HTT (0.60) SMN1; SMN2HTTALDH1A1LMNAMAPT

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 12 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
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN 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 SMN1; SMN2 3215/4885HTT 2677/4885GHSR 991/4885

“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.