SCHEMBL13197847

SCHEMBL13197847

CCCCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 2/20 0.45
NAMPT P43490 2/20 0.44
MCHR1 Q99705 2/20 0.44
PPARA Q07869 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL13197973 0.92 ALDH1A1 (0.44) KDM4EALDH1A1HPGDNAMPTMCHR1
SCHEMBL13197971 0.92 NAMPT (0.55) KDM4EALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL13197818 0.92 NAMPT (0.46) EPHX2NAMPTMCHR1PPARALMNA
SCHEMBL13197974 0.89 NAMPT (0.49) EPHX2NAMPTPPARAMEN1KMT2A
SCHEMBL13197985 0.88 SMN1; SMN2 (0.42) KDM4EALDH1A1HPGDNAMPTLMNA
SCHEMBL13197929 0.87 NAMPT (0.49) NAMPTKMT2A
SCHEMBL13197819 0.87 PPARA (0.46) EPHX2NAMPTPPARALMNA
SCHEMBL13197968 0.87 MCHR1 (0.46) EPHX2NAMPTMCHR1HDAC1HDAC6
SCHEMBL13197832 0.87 EPHX2 (0.54) EPHX2NAMPTPPARALMNASMN1; SMN2
SCHEMBL2565368 0.86 MCHR1 (0.49) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19

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 KDM4E 705/4885ALDH1A1 770/4885HPGD 2242/4885

“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.