SCHEMBL3977460

SCHEMBL3977460

Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NC2CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
MAPK14 Q16539 1/20 0.52
GABRA5 P31644 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
MAPK8 P45983 1/20 0.46

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
SCHEMBL4248633 0.97 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3975394 0.97 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL13842385 0.95 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3976799 0.90 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3977280 0.90 ALDH1A1 (0.54) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL14034653 0.90 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3975915 0.90 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3978793 0.89 GABRA5 (0.54) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3980175 0.89 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPK14
SCHEMBL3981497 0.89 ALDH1A1 (0.56) HTTSMN1; SMN2ALDH1A1LMNAMAPK14

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
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.