SCHEMBL5099640

SCHEMBL5099640

COC(=O)c1cc(N)ccc1-c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CFTR P13569 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SLC6A3 Q01959 4/20 0.46
ATM Q13315 2/20 0.45
USP2 O75604 1/20 0.45
PAX8 Q06710 1/20 0.45
GOPC Q9HD26 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
SLC6A4 P31645 3/20 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
SCHEMBL9705197 0.86 GAA (0.65) GAAABCB1ALDH1A1CFTRHSD17B10
SCHEMBL21102263 0.84 SLC6A3 (0.55) ALDH1A1SLC6A3SLC6A4SLC6A2MAPT
SCHEMBL15525214 0.82 SLC6A3 (0.63) ALDH1A1CFTRHSD17B10SLC6A3ATM
SCHEMBL29706660 0.82 GAA (0.50) GAAABCB1ALDH1A1CFTRHSD17B10
SCHEMBL7662247 0.81 ALDH1A1 (0.51) GAAABCB1ALDH1A1CFTRHSD17B10
SCHEMBL2726928 0.80 GAA (0.54) GAAABCB1ALDH1A1CFTRHSD17B10
SCHEMBL847862 0.79 GAA (0.61) GAAALDH1A1CFTRHSD17B10ATM
SCHEMBL29608693 0.79 GAA (0.61) GAAALDH1A1CFTRHSD17B10ATM
SCHEMBL25381631 0.79 CFTR (0.47) GAAABCB1ALDH1A1CFTRHSD17B10
SCHEMBL5103367 0.79 SMN1; SMN2 (0.54) ALDH1A1HSD17B10SLC6A3KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 WO 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-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 GAA 1046/4885ABCB1 24/4885ALDH1A1 1584/4885

“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.