SCHEMBL3973666

SCHEMBL3973666

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
CACNA1F O60840 1/20 0.40
ABCB1 P08183 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 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
SCHEMBL3977220 0.89 HTT (0.65) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3978785 0.88 SMN1; SMN2 (0.54) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3976793 0.88 HTT (0.54) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3978223 0.88 RAB9A (0.53) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3975091 0.88 HTT (0.54) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3977672 0.86 SMN1; SMN2 (0.50) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3983447 0.86 HTT (0.52) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3981355 0.85 HTT (0.59) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3977973 0.85 HTT (0.61) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3977994 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1KMT2AMEN1

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 16 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 claimed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP claimed
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN claimed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US claimed
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
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
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 HTT 2677/4885SMN1; SMN2 3215/4885ALDH1A1 435/4885

“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.