SCHEMBL13197832

SCHEMBL13197832

COc1ccc(CNC(=O)c2nc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
PPARA Q07869 2/20 0.54
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.46
IGF1R P08069 2/20 0.46
FAAH O00519 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NAMPT P43490 2/20 0.45
KLKB1 P03952 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44

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
SCHEMBL13197819 0.89 PPARA (0.46) EPHX2PPARALMNANPC1RAB9A
SCHEMBL13197818 0.88 NAMPT (0.46) EPHX2PPARALMNASMN1; SMN2NAMPT
SCHEMBL13197925 0.88 NAMPT (0.53) EPHX2PPARANPC1RAB9AIGF1R
SCHEMBL13197825 0.87 EPHX2 (0.44) EPHX2PPARALMNASMN1; SMN2NAMPT
SCHEMBL13197974 0.87 NAMPT (0.49) EPHX2PPARANPC1RAB9ASMN1; SMN2
SCHEMBL13197847 0.87 KDM4E (0.51) EPHX2PPARALMNASMN1; SMN2NAMPT
SCHEMBL13197833 0.86 EPHX2 (0.48) EPHX2PPARAIGF1RFAAHSMN1; SMN2
SCHEMBL13197809 0.86 EPHX2 (0.44) EPHX2PPARALMNAFAAHSMN1; SMN2
SCHEMBL13197839 0.86 NAMPT (0.44) EPHX2PPARALMNANPC1RAB9A
SCHEMBL2567978 0.85 EPHX2 (0.53) EPHX2PPARANPC1RAB9AIGF1R

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 EPHX2 3922/4885PPARA 2490/4885LMNA 3009/4885

“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.