SCHEMBL3977145

SCHEMBL3977145

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc(C(=O)OCC(C)C)n(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.40
ABCB1 P08183 5/20 0.40
CACNA1D Q01668 5/20 0.40
CACNA1S Q13698 5/20 0.40
CACNA1C Q13936 5/20 0.40
RAB9A P51151 1/20 0.40
P2RY12 Q9H244 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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 0.91 CACNA1F (0.49) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3984576 0.86 CACNA1F (0.41) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3979619 0.84 CACNA1F (0.40) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3983007 0.81 P2RY12 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CP2RY12
SCHEMBL3976665 0.77 NPC1 (0.40) P2RY12POLBALOX15TSHRMAPK1
SCHEMBL3978285 0.77 CACNA1F (0.45) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3977190 0.77 POLB (0.46) P2RY12POLBALOX15TSHRMAPK1
SCHEMBL3975866 0.77 BACE1 (0.43) TSHRKMT2AMEN1GAAKDM4E
SCHEMBL3977472 0.76 GABRA5 (0.38) P2RY12POLBALOX15TSHRMAPK1
SCHEMBL3979548 0.75 RAB9A (0.53) 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.