SCHEMBL2879704

SCHEMBL2879704

CN(C)CC(=O)OCCNC(=O)c1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.44
EPHX2 P34913 5/20 0.41
PPARA Q07869 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
NAMPT P43490 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAF1 P04049 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13197942 0.93 MCHR1 (0.49) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13197771 0.92 MCHR1 (0.43) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13206932 0.90 MCHR1 (0.42) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13197937 0.88 EPHX2 (0.45) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13197939 0.87 MCHR1 (0.40) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13197936 0.86 EPHX2 (0.40) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL2565710 0.86 MCHR1 (0.46) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL2561907 0.86 MCHR1 (0.46) MCHR1EPHX2PPARATRPV1MAPT
SCHEMBL13197940 0.86 EPHX2 (0.52) EPHX2
SCHEMBL13197944 0.84 MCHR1 (0.43) MCHR1EPHX2PPARATRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
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-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
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 MCHR1 4719/4885EPHX2 3922/4885PPARA 2490/4885

“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.