SCHEMBL4817896

SCHEMBL4817896

CC(C)Cc1ccc(Cc2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
XDH P47989 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
COMT P21964 1/20 0.38
LTA4H P09960 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.36
CYP19A1 P11511 1/20 0.36
S1PR1 P21453 1/20 0.35
SRR Q9GZT4 1/20 0.35

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
SCHEMBL27835324 0.96 DHODH (0.44) DHODHXDHADORA3ADORA2AADORA2B
SCHEMBL10133074 0.89 NR1H2 (0.44) XDHCOMTLTA4HNR1H2NR1H3
SCHEMBL3234188 0.83 NPC1 (0.48) LTA4HNR1H2NR1H3POLBNPC1
SCHEMBL27835293 0.83 BRS3 (0.41) XDHLTA4HNR1H2NR1H3POLB
SCHEMBL14732767 0.82 ADORA1 (0.51) DHODHADORA3ADORA2AADORA2BADORA1
SCHEMBL3856407 0.82 NR1H2 (0.50) XDHLTA4HNR1H2NR1H3POLB
SCHEMBL6565202 0.79 DHODH (0.42) DHODHXDHADORA3ADORA2AADORA2B
SCHEMBL4819873 0.79 DHODH (0.42) DHODHXDHADORA3ADORA2AADORA2B
SCHEMBL2868814 0.79 HRH3 (0.41) COMTNR1H2NR1H3NPC1RAB9A
SCHEMBL2872354 0.79 NR1H2 (0.49) NR1H2NR1H3NPC1RAB9AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402602-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2008-07-22 US claimed
US-20070099975-A1 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2007-05-03 US claimed
US-7157483-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-01-02 US claimed
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCRAS 2006-03-30 US claimed
EP-1401432-B1 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOD CONSEILS RECH APPLIC (FR) 2005-09-14 EP claimed
JP-2005500297-A 2005-01-06 JP claimed
EP-1401432-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2004-03-31 EP claimed
WO-2002102375-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-12-27 WO claimed
US-7402602-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2008-07-22 US disclosed
US-20070099975-A1 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2007-05-03 US disclosed
US-7157483-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-01-02 US disclosed
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCRAS 2006-03-30 US disclosed
EP-1401432-B1 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOD CONSEILS RECH APPLIC (FR) 2005-09-14 EP disclosed
US-20040198792-A1 Imidazole derivatives modulating the sodium channels IPSEN PHARMA S.A.S. (FR) 2004-10-07 US disclosed
EP-1401432-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2004-03-31 EP disclosed
WO-2002102375-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-12-27 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 (3 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-20040198792-A1 Imidazole derivatives modulating the sodium channels SCN1A, SCN1B, TRPV1 DHODH 3332/4885XDH 3748/4885ADORA3 582/4885
US-20070099975-A1 Imidazole derivatives modulating the sodium channels SCN2B, KCNJ2, SCN1B DHODH 2672/4885XDH 2382/4885ADORA3 855/4885
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCN1B, SCN1A, SCN2B DHODH 1715/4885XDH 1462/4885ADORA3 880/4885

“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.