SCHEMBL13197896

SCHEMBL13197896

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(Cc2ccccc2)c(C(=O)NCCOCCO)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.45
PPARA Q07869 3/20 0.45
TP53 P04637 1/20 0.43
IGF1R P08069 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.42
MCHR1 Q99705 1/20 0.42
FPR2 P25090 1/20 0.42
PPARG P37231 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CNR1 P21554 1/20 0.40
SERPINE1 P05121 2/20 0.40
LMNA P02545 1/20 0.40
P2RY1 P47900 1/20 0.40

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
SCHEMBL13197833 0.92 EPHX2 (0.48) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL13197836 0.91 IGF1R (0.47) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL13197880 0.89 EPHX2 (0.43) EPHX2PPARAIGF1RACHEMCHR1
SCHEMBL13197898 0.88 TP53 (0.44) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL13197917 0.87 MCHR1 (0.48) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL13197886 0.86 MCHR1 (0.41) EPHX2IGF1RMCHR1CNR1
SCHEMBL13197899 0.85 EPHX2 (0.49) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL13197904 0.85 MCHR1 (0.43) EPHX2MCHR1
SCHEMBL2567978 0.84 EPHX2 (0.53) EPHX2PPARATP53IGF1RSMN1; SMN2
SCHEMBL2561907 0.84 MCHR1 (0.46) EPHX2PPARAMCHR1LMNAP2RY1

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 3922/4885PPARA 2490/4885TP53 935/4885

“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.