SCHEMBL13197827

SCHEMBL13197827

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
EPHX2 P34913 5/20 0.44
FAAH O00519 2/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
IGF1R P08069 2/20 0.40
IDH1 O75874 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TEK Q02763 2/20 0.39
EPHB4 P54760 1/20 0.39
CNR1 P21554 1/20 0.38
NAMPT P43490 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
SCHEMBL13197829 0.95 MCHR1 (0.43) MCHR1EPHX2FAAHABL1MEN1
SCHEMBL13197886 0.93 MCHR1 (0.41) MCHR1EPHX2FAAHABL1MEN1
SCHEMBL13197841 0.91 MCHR1 (0.46) MCHR1EPHX2FAAHABL1BCR
SCHEMBL2876477 0.87 EPHX2 (0.49) MCHR1EPHX2FAAHKMT2AIGF1R
SCHEMBL13197887 0.87 MCHR1 (0.42) MCHR1EPHX2ABL1BCRMEN1
SCHEMBL13197845 0.86 MCHR1 (0.45) MCHR1EPHX2FAAHABL1MEN1
SCHEMBL13197825 0.86 EPHX2 (0.44) MCHR1EPHX2NAMPT
SCHEMBL13197828 0.86 CYP1A2 (0.45) MCHR1MEN1CYP3A4CYP2D6MAPT
SCHEMBL13197831 0.85 EPHX2 (0.42) MCHR1EPHX2MAPTIGF1RNPC1
SCHEMBL13197895 0.85 EPHX2 (0.57) EPHX2ABL1BCRMAPTRAF1

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 3922/4885FAAH 3850/4885

“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.