SCHEMBL3977013

SCHEMBL3977013

COC(=O)c1cc(C(=O)c2c(-c3cccc(Br)c3)noc2C)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.51
CACNA1F O60840 1/20 0.46
ABCB1 P08183 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
GABRA5 P31644 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3975091 0.89 HTT (0.54) SMN1; SMN2HTTALDH1A1LMNACACNA1F
SCHEMBL3978223 0.89 RAB9A (0.53) SMN1; SMN2HTTALDH1A1LMNACACNA1F
SCHEMBL3982594 0.88 SMN1; SMN2 (0.63) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL3980820 0.88 HTT (0.52) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL3977478 0.88 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1LMNAGAA
SCHEMBL3980175 0.84 HTT (0.53) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL14546845 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL3975800 0.82 ALDH1A1 (0.49) SMN1; SMN2HTTALDH1A1LMNACACNA1F
SCHEMBL3976829 0.82 HTT (0.52) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL3974273 0.82 LMNA (0.53) SMN1; SMN2HTTALDH1A1LMNAGAA

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 10 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
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
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 SMN1; SMN2 3215/4885HTT 2677/4885ALDH1A1 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.