SCHEMBL3983004

SCHEMBL3983004

CCONC(=O)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 4/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GHSR Q92847 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
SCHEMBL3977712 0.90 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3982594 0.83 SMN1; SMN2 (0.63) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL13842387 0.83 HTT (0.72) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3977220 0.83 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3980271 0.82 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3977460 0.82 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3977186 0.80 HTT (0.68) HTTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL13842390 0.80 HTT (0.62) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4947769 0.80 HTT (0.75) HTTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL3973652 0.79 SMN1; SMN2 (0.69) HTTSMN1; SMN2ALDH1A1LMNAGAA

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.