SCHEMBL13197817

SCHEMBL13197817

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.44
AHR P35869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
EPHX1 P07099 3/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL13197853 0.85 EPHX2 (0.43) EPHX2AHRALDH1A1HPGDMCHR1
SCHEMBL13197987 0.85 MCHR1 (0.44) EPHX2ALDH1A1EPHX1MCHR1
SCHEMBL13197837 0.85 SMN1; SMN2 (0.48) EPHX2AHRALDH1A1HPGD
SCHEMBL13197846 0.85 EPHX2 (0.42) EPHX2AHRALDH1A1HPGDMCHR1
SCHEMBL1594683 0.85 EPHX2 (0.50) EPHX2ALDH1A1EPHX1
SCHEMBL13197831 0.84 EPHX2 (0.42) EPHX2AHRALDH1A1HPGDMCHR1
SCHEMBL13197816 0.84 EPHX2 (0.45) EPHX2ALDH1A1EPHX1MCHR1
SCHEMBL13197935 0.84 MCHR1 (0.43) EPHX2ALDH1A1EPHX1MCHR1
SCHEMBL14793970 0.83 EPHX2 (0.49) EPHX2ALDH1A1EPHX1MCHR1
SCHEMBL2569969 0.83 MCHR1 (0.44) EPHX2ALDH1A1EPHX1MCHR1

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 3922/4885AHR 3830/4885ALDH1A1 770/4885

“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.