SCHEMBL3982579

SCHEMBL3982579

Cc1onc(-c2ccc(OCc3ccccc3)cc2)c1C(=O)c1c[nH]c(C(=O)NC2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
GABRA5 P31644 8/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3980702 0.98 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3979883 0.98 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL13842516 0.96 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3982806 0.90 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL13842515 0.88 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3975441 0.88 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3977460 0.88 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3977584 0.87 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3985247 0.86 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAGABRA5
SCHEMBL3979229 0.86 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAGABRA5

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 6 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
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.