SCHEMBL13197840

SCHEMBL13197840

CC(C)=CCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)N[C@@H](CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
IGF1R P08069 2/20 0.40
EPHX2 P34913 1/20 0.39
ROCK2 O75116 4/20 0.39
PDE2A O00408 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MMP12 P39900 2/20 0.39
ROCK1 Q13464 2/20 0.38
GLS O94925 1/20 0.38
IDH1 O75874 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
SCHEMBL13197846 0.88 EPHX2 (0.42) FPR2IGF1REPHX2HDAC3HDAC4
SCHEMBL2570527 0.84 EPHX2 (0.49) IGF1REPHX2HDAC3HDAC4HDAC1
SCHEMBL13197841 0.83 MCHR1 (0.46) IGF1REPHX2HDAC3HDAC4HDAC1
SCHEMBL13197845 0.81 MCHR1 (0.45) IGF1REPHX2HDAC3HDAC4HDAC1
SCHEMBL13197831 0.81 EPHX2 (0.42) FPR2IGF1REPHX2HDAC3HDAC4
SCHEMBL13197904 0.79 MCHR1 (0.43) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13197910 0.79 EPHX2 (0.40) IGF1REPHX2HDAC3HDAC4HDAC1
SCHEMBL13197839 0.78 NAMPT (0.44) EPHX2HDAC1HDAC6NPC1RAB9A
SCHEMBL13197903 0.78 MCHR1 (0.48) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13197837 0.78 SMN1; SMN2 (0.48) FPR2IGF1REPHX2P2RY1

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 FPR2 4423/4885IGF1R 400/4885EPHX2 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.