SCHEMBL3975366

SCHEMBL3975366

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.40
MAPK7 Q13164 1/20 0.39

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
SCHEMBL3977168 0.90 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3977820 0.90 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3977672 0.87 SMN1; SMN2 (0.50) ALDH1A1HTTSMN1; SMN2LMNAGAA
SCHEMBL3980161 0.85 HTT (0.60) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3977283 0.80 HTT (0.54) ALDH1A1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL3979348 0.79 MAPK14 (0.51) ALDH1A1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL3977465 0.78 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL13842568 0.78 GABRA5 (0.55) ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL5135514 0.76 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2LMNAGAA
SCHEMBL3978785 0.76 SMN1; SMN2 (0.54) ALDH1A1HTTSMN1; SMN2LMNAGAA

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 9 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
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
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

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 435/4885HPGD 1675/4885HTT 2677/4885

“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.