SCHEMBL3977556

SCHEMBL3977556

COCc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
GABRA5 P31644 3/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
MAP2K4 P45985 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL3974250 0.91 LMNA (0.42) LMNAGABRA5ALDH1A1HTTSMN1; SMN2
SCHEMBL13842368 0.90 HTT (0.50) LMNAGABRA5ALDH1A1GAABAZ2B
SCHEMBL3985266 0.86 HTT (0.44) LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3977666 0.85 LMNA (0.53) LMNAGABRA5ALDH1A1GAAHTT
SCHEMBL3980165 0.85 GABRA5 (0.48) LMNAGABRA5ALDH1A1HTTSMN1; SMN2
SCHEMBL13842541 0.83 GABRA5 (0.49) GABRA5
SCHEMBL27736317 0.83 LMNA (0.41) LMNAGABRA5ALDH1A1HTTSMN1; SMN2
SCHEMBL27736318 0.83 PTGS2 (0.43) LMNAGABRA5ALDH1A1F2F10
SCHEMBL13842538 0.83 HTT (0.63) LMNAALDH1A1GAAHTTSMN1; SMN2
SCHEMBL2473817 0.83 LMNA (0.66) LMNAGABRA5ALDH1A1GAASMN1; SMN2

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 5 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
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 LMNA 4188/4885GABRA5 1/4885ALDH1A1 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.