SCHEMBL13197935

SCHEMBL13197935

CC(C)CNCCNC(=O)c1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
EPHX2 P34913 13/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39
RAF1 P04049 1/20 0.39
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13197987 0.90 MCHR1 (0.44) MCHR1EPHX2MAPTKDM4EMEN1
SCHEMBL13197933 0.87 EPHX2 (0.45) MCHR1EPHX2MAPTMEN1CYP3A4
SCHEMBL2569969 0.87 MCHR1 (0.44) MCHR1EPHX2MAPTKDM4EMEN1
SCHEMBL13197959 0.86 MCHR1 (0.45) MCHR1EPHX2MAPTKDM4EMEN1
SCHEMBL13197862 0.86 MCHR1 (0.45) MCHR1EPHX2MAPTMEN1CYP3A4
SCHEMBL13197986 0.86 IGF1R (0.42) MCHR1EPHX2MAPTMEN1CYP3A4
SCHEMBL13197816 0.86 EPHX2 (0.45) MCHR1EPHX2MAPTKDM4EMEN1
SCHEMBL13197916 0.85 MCHR1 (0.48) MCHR1EPHX2FAAHEPHX1TDP1
SCHEMBL13197934 0.84 MCHR1 (0.43) MCHR1EPHX2MAPTMEN1CYP3A4
SCHEMBL13197861 0.84 MCHR1 (0.43) MCHR1EPHX2KDM4EALDH1A1FAAH

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 MCHR1 4719/4885EPHX2 3922/4885MAPT 3312/4885

“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.