SCHEMBL3979229

SCHEMBL3979229

Cc1onc(-c2ccc(Oc3ccccc3)cc2)c1C(=O)c1c[nH]c(C(=O)NC2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK14 Q16539 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 1/20 0.46
GABRA5 P31644 4/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3985247 0.98 HTT (0.53) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL13842514 0.93 HTT (0.52) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL4248633 0.92 HTT (0.61) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3982139 0.90 NPC1 (0.52) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3975394 0.90 HTT (0.61) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3979883 0.89 HTT (0.54) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3977460 0.89 HTT (0.65) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3979547 0.89 HTT (0.50) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3980702 0.88 HTT (0.54) HTTSMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL3978095 0.87 HTT (0.51) HTTSMN1; SMN2MAPK14ALDH1A1LMNA

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 7 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
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 3215/4885MAPK14 4393/4885

“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.