SCHEMBL3978285

SCHEMBL3978285

CCOC(=O)c1cc(C(=O)c2c(-c3ccc(Br)cc3)noc2C)cn1C(OC)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 6/20 0.45
ABCB1 P08183 6/20 0.45
CACNA1D Q01668 6/20 0.45
CACNA1S Q13698 6/20 0.45
CACNA1C Q13936 6/20 0.45
P2RY12 Q9H244 1/20 0.42
RAB9A P51151 1/20 0.41
TARBP2 Q15633 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
PTBP1 P26599 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3977714 0.84 CACNA1F (0.49) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3977145 0.77 CACNA1F (0.40) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3979548 0.76 RAB9A (0.53) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL13674 0.74 CACNA1F (0.62) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3983007 0.74 P2RY12 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CP2RY12
SCHEMBL3984576 0.74 CACNA1F (0.41) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3981470 0.73 RAB9A (0.48) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3979619 0.72 CACNA1F (0.40) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3976845 0.71 KMT2A (0.45) P2RY12RAB9AHTTALDH1A1LMNA
SCHEMBL3456699 0.68 RAB9A (0.74) CACNA1FABCB1CACNA1DCACNA1SCACNA1C

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 3 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
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

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 CACNA1F 403/4885ABCB1 892/4885CACNA1D 443/4885

“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.