SCHEMBL2829680

SCHEMBL2829680

Cc1onc(-c2ccc(Br)cc2)c1CC(=O)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GABRA5 P31644 4/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL22230645 0.81 GABRA5 (0.49) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL6987 0.80 GABRA5 (0.50) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL14790148 0.80 GABRA5 (0.50) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL4593848 0.78 GABRA5 (0.46) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL2470754 0.77 RAB9A (0.54) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL27886974 0.77 GABRA5 (0.48) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL24555946 0.76 GABRA5 (0.56) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL27495332 0.74 ALDH1A1 (0.59) GABRA5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1246411 0.74 KMT2A (0.56) RAB9AALDH1A1TDP1KDM4EMEN1
SCHEMBL2472330 0.73 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
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 CACNA1F 187/4885ABCB1 1144/4885CACNA1D 271/4885

“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.