SCHEMBL13197875

SCHEMBL13197875

CCOC(=O)NCCNC(=O)c1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1CCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX2 P34913 4/20 0.42
POLB P06746 1/20 0.42
P2RY1 P47900 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13197984 0.92 MCHR1 (0.50) MCHR1MAPTKDM4ETDP1EPHX2
SCHEMBL13197913 0.92 MCHR1 (0.47) MCHR1MAPTKDM4EEPHX2POLB
SCHEMBL13197884 0.91 MCHR1 (0.43) MCHR1MAPTEPHX2POLBMEN1
SCHEMBL13197975 0.90 MCHR1 (0.51) MCHR1MAPTKDM4ETDP1EPHX2
SCHEMBL13197862 0.87 MCHR1 (0.45) MCHR1MAPTEPHX2POLBMEN1
SCHEMBL13197907 0.87 MCHR1 (0.45) MCHR1MAPTEPHX2POLBMEN1
SCHEMBL13197899 0.87 EPHX2 (0.49) MCHR1MAPTEPHX2P2RY1LMNA
SCHEMBL13197870 0.86 MCHR1 (0.45) MCHR1KDM4ETDP1EPHX2POLB
SCHEMBL13197874 0.85 MCHR1 (0.47) MCHR1MAPTKDM4ETDP1EPHX2
SCHEMBL2571500 0.84 EPHX2 (0.50) MCHR1KDM4ETDP1EPHX2POLB

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 MCHR1 4719/4885MAPT 3312/4885KDM4E 705/4885

“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.