SCHEMBL13197839

SCHEMBL13197839

COc1ccc(CNC(=O)c2nc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2CC=C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.44
AKR1C3 P42330 1/20 0.43
EPHX2 P34913 3/20 0.43
LMNA P02545 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL13197825 0.93 EPHX2 (0.44) NAMPTEPHX2LMNAPPARASMN1; SMN2
SCHEMBL13197818 0.87 NAMPT (0.46) NAMPTEPHX2LMNAPPARAPOLB
SCHEMBL13197841 0.86 MCHR1 (0.46) NAMPTEPHX2NPC1POLBRAB9A
SCHEMBL13197974 0.86 NAMPT (0.49) NAMPTEPHX2PPARANPC1POLB
SCHEMBL13197847 0.86 KDM4E (0.51) NAMPTEPHX2LMNAPPARAALDH1A1
SCHEMBL13197832 0.86 EPHX2 (0.54) NAMPTEPHX2LMNAPPARANPC1
SCHEMBL13197809 0.85 EPHX2 (0.44) NAMPTEPHX2LMNAPPARASMN1; SMN2
SCHEMBL13197845 0.85 MCHR1 (0.45) EPHX2NPC1POLBRAB9AHDAC1
SCHEMBL2570527 0.84 EPHX2 (0.49) EPHX2PPARANPC1POLBRAB9A
SCHEMBL13197819 0.83 PPARA (0.46) NAMPTEPHX2LMNAPPARANPC1

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 NAMPT 1354/4885AKR1C3 2553/4885EPHX2 3922/4885

“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.