SCHEMBL13197853

SCHEMBL13197853

CCCCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NC(C)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.43
MCHR1 Q99705 2/20 0.42
AHR P35869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
RAF1 P04049 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSPA9 P38646 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL13197952 0.90 EPHX2 (0.44) EPHX2MCHR1ALDH1A1HPGDMAPT
SCHEMBL13197822 0.87 EPHX2 (0.43) EPHX2AHRALDH1A1HPGDRAF1
SCHEMBL1595469 0.86 EPHX2 (0.51) EPHX2MCHR1MAPTPOLBNPC1
SCHEMBL2565368 0.86 MCHR1 (0.49) EPHX2MCHR1ALDH1A1MAPTRAF1
SCHEMBL13197846 0.85 EPHX2 (0.42) EPHX2MCHR1AHRALDH1A1HPGD
SCHEMBL13197817 0.85 EPHX2 (0.44) EPHX2MCHR1AHRALDH1A1HPGD
SCHEMBL13197837 0.85 SMN1; SMN2 (0.48) EPHX2AHRALDH1A1HPGD
SCHEMBL13197851 0.85 MCHR1 (0.48) EPHX2MCHR1MAPTRAF1POLB
SCHEMBL13197968 0.85 MCHR1 (0.46) EPHX2MCHR1MAPTRAF1POLB
SCHEMBL13197831 0.85 EPHX2 (0.42) EPHX2MCHR1AHRALDH1A1HPGD

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 3922/4885MCHR1 4719/4885AHR 3830/4885

“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.