SCHEMBL13197865

SCHEMBL13197865

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(CC2CC2)c(C(=O)NCCCN2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.58
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
CCR2 P41597 1/20 0.48
ABL1 P00519 4/20 0.47
BCR P11274 3/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL13197964 0.89 EPHX2 (0.59) EPHX2GAAMAPK1ABL1BCR
SCHEMBL13197877 0.89 EPHX2 (0.59) EPHX2GAAMAPK1ABL1BCR
SCHEMBL13197816 0.87 EPHX2 (0.45) EPHX2CCR2ABL1MAPTKCNH2
SCHEMBL13197900 0.87 EPHX2 (0.57) EPHX2GAAMAPK1ABL1MAPT
SCHEMBL13197895 0.87 EPHX2 (0.57) EPHX2GAAMAPK1ABL1BCR
SCHEMBL13206942 0.85 EPHX2 (0.55) EPHX2GAAMAPK1ABL1BCR
SCHEMBL13197916 0.85 MCHR1 (0.48) EPHX2CCR2
SCHEMBL13197933 0.85 EPHX2 (0.45) EPHX2CCR2MAPT
SCHEMBL13197815 0.85 NAMPT (0.45) GAAMAPTLMNASMN1; SMN2
SCHEMBL2569969 0.85 MCHR1 (0.44) EPHX2CCR2ABL1MAPT

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 2 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-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 3922/4885GAA 371/4885MAPK1 3034/4885

“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.