SCHEMBL13197870

SCHEMBL13197870

COCCOCCCNC(=O)c1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1CCOC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 10/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CCR2 P41597 1/20 0.41
ALOX5 P09917 6/20 0.40
POLB P06746 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
SCHEMBL13197911 0.94 MCHR1 (0.45) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197879 0.93 EPHX2 (0.45) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197861 0.90 MCHR1 (0.43) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197898 0.90 TP53 (0.44) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197905 0.90 MCHR1 (0.42) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197887 0.89 MCHR1 (0.42) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197958 0.87 KDM4E (0.52) MCHR1KDM4EALDH1A1EPHX2ABL1
SCHEMBL13197875 0.86 MCHR1 (0.47) MCHR1KDM4ETDP1ALDH1A1EPHX2
SCHEMBL13197877 0.86 EPHX2 (0.59) MCHR1EPHX2ABL1BCR
SCHEMBL13197869 0.86 MCHR1 (0.43) MCHR1KDM4ETDP1EPHX2ABL1

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 MCHR1 4719/4885KDM4E 705/4885TDP1 795/4885

“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.