SCHEMBL13197971

SCHEMBL13197971

CCCCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NCc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.55
KDR P35968 9/20 0.50
FLT1 P17948 8/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13197847 0.92 KDM4E (0.51) NAMPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL13197929 0.90 NAMPT (0.49) NAMPT
SCHEMBL13197968 0.87 MCHR1 (0.46) NAMPT
SCHEMBL2565368 0.86 MCHR1 (0.49) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13197851 0.85 MCHR1 (0.48) CYP3A4CYP2C9CYP2C19
SCHEMBL13197951 0.85 MCHR1 (0.48) CYP3A4CYP2C9CYP2C19
SCHEMBL13197953 0.85 MCHR1 (0.44) NAMPT
SCHEMBL13197973 0.85 ALDH1A1 (0.44) NAMPTKDM4EALDH1A1HPGD
SCHEMBL1595469 0.85 EPHX2 (0.51)
SCHEMBL2568682 0.85 MCHR1 (0.48) KDRFLT1CYP3A4CYP2C9CYP2C19

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 1354/4885KDR 1097/4885FLT1 1037/4885

“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.