SCHEMBL13197820

SCHEMBL13197820

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(CCOc2ccccc2)c(C(=O)NCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
KCNA5 P22460 1/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 1/20 0.44
IGF1R P08069 2/20 0.43
MCHR1 Q99705 2/20 0.43
FAAH O00519 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL13197880 0.94 EPHX2 (0.43) EPHX2KCNA5ABL1BCRIGF1R
SCHEMBL13197884 0.89 MCHR1 (0.43) EPHX2KCNA5IGF1RMCHR1CYP2C19
SCHEMBL2881513 0.89 EPHX2 (0.49) EPHX2KCNA5IGF1RFAAHCYP2C19
SCHEMBL13197879 0.88 EPHX2 (0.45) EPHX2KCNA5ABL1BCRIGF1R
SCHEMBL13197833 0.87 EPHX2 (0.48) EPHX2ABL1BCRIGF1RMCHR1
SCHEMBL13197881 0.87 EPHX2 (0.44) EPHX2KCNA5IGF1RMCHR1PPARA
SCHEMBL13197821 0.87 NAMPT (0.51) EPHX2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13197819 0.86 PPARA (0.46) EPHX2IGF1RPPARANPC1RAB9A
SCHEMBL13197822 0.86 EPHX2 (0.43) EPHX2KCNA5IGF1RCYP2C19CYP1A2
SCHEMBL2565368 0.85 MCHR1 (0.49) EPHX2ABL1BCRMCHR1FAAH

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 3922/4885KCNA5 4149/4885ABL1 309/4885

“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.