SCHEMBL3977672

SCHEMBL3977672

Cc1onc(-c2ccc(F)c(F)c2)c1C(=O)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 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
GABRA5 P31644 2/20 0.39
MAPK7 Q13164 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
KMO O15229 1/20 0.38

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
SCHEMBL3978785 0.89 SMN1; SMN2 (0.54) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL5135514 0.89 SMN1; SMN2 (0.49) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL3975366 0.87 ALDH1A1 (0.47) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL3976793 0.86 HTT (0.54) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL3973666 0.86 HTT (0.54) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL3974241 0.86 HTT (0.54) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL3977220 0.85 HTT (0.65) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL3978326 0.83 HTT (0.54) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL3977283 0.83 HTT (0.54) SMN1; SMN2HTTKMT2AMEN1KDM4E
SCHEMBL3979348 0.82 MAPK14 (0.51) SMN1; SMN2HTTKMT2AMEN1KDM4E

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 claimed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP 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
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
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 2677/4885KMT2A 2468/4885

“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.