SCHEMBL13197819

SCHEMBL13197819

COc1ccc(CNC(=O)c2nc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2CCOc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
EPHX2 P34913 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CNR2 P34972 1/20 0.44
HIF1A Q16665 1/20 0.43
PTPN7 P35236 1/20 0.43
NAMPT P43490 2/20 0.43
LMNA P02545 1/20 0.43
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL13197818 0.92 NAMPT (0.46) PPARAEPHX2NAMPTLMNA
SCHEMBL13197832 0.89 EPHX2 (0.54) PPARAEPHX2NPC1RAB9AHIF1A
SCHEMBL13197926 0.88 NAMPT (0.50) PPARAEPHX2NPC1RAB9APTPN7
SCHEMBL13197847 0.87 KDM4E (0.51) PPARAEPHX2NAMPTLMNA
SCHEMBL13197820 0.86 EPHX2 (0.46) PPARAEPHX2NPC1RAB9AIGF1R
SCHEMBL13197974 0.86 NAMPT (0.49) PPARAEPHX2NPC1RAB9ANAMPT
SCHEMBL2881513 0.85 EPHX2 (0.49) PPARAEPHX2NPC1RAB9AIGF1R
SCHEMBL13197879 0.85 EPHX2 (0.45) PPARAEPHX2IGF1R
SCHEMBL13197884 0.84 MCHR1 (0.43) EPHX2NPC1RAB9ALMNAIGF1R
SCHEMBL13197880 0.83 EPHX2 (0.43) PPARAEPHX2NPC1RAB9AIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 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-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 PPARA 2490/4885EPHX2 3922/4885NPC1 768/4885

“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.