SCHEMBL5481298

SCHEMBL5481298

O=CC(Br)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.42
HSPB1 P04792 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SCN4A P35499 3/20 0.36
SCN9A Q15858 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL168223 0.88 IDO1 (0.38) ALDH1A1CES2CES1IDO1TDO2
SCHEMBL20550831 0.88 IDO1 (0.38) ALDH1A1CES2CES1IDO1TDO2
SCHEMBL21495038 0.83 LTA4H (0.46) SOS1LTA4HLMNA
SCHEMBL1701352 0.83 LTA4H (0.46) SOS1LTA4HLMNA
SCHEMBL5568608 0.82 HSPB1 (0.51) HSPB1ALDH1A1SCN4A
SCHEMBL5563413 0.82 HSPB1 (0.44) HSPB1L3MBTL1ALDH1A1SCN4ASCN9A
SCHEMBL5737466 0.79 SOS1 (0.38) SOS1ALDH1A1
SCHEMBL2462922 0.77 CYP1A2 (0.39) SOS1HSPB1L3MBTL1ALDH1A1SCN4A
SCHEMBL40530 0.76 HSPB1 (0.53) HSPB1L3MBTL1ALDH1A1CES2CES1
SCHEMBL3244593 0.76 DRD1 (0.50) L3MBTL1ALDH1A1LMNA

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
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 US disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 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-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments MIF, MCL1, PPIP5K2 SOS1 4608/4885HSPB1 1915/4885L3MBTL1 4696/4885

“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.