SCHEMBL2561907

SCHEMBL2561907

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)NCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
TRPV1 Q8NER1 1/20 0.45
EPHX2 P34913 6/20 0.45
FAAH O00519 1/20 0.45
PPARA Q07869 2/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
NAMPT P43490 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL2565710 0.93 MCHR1 (0.46) MCHR1TRPV1EPHX2PPARAMAPT
SCHEMBL13197833 0.91 EPHX2 (0.48) MCHR1EPHX2FAAHPPARAABL1
SCHEMBL13197771 0.89 MCHR1 (0.43) MCHR1TRPV1EPHX2PPARAMAPT
SCHEMBL13197931 0.89 EPHX1 (0.44) MCHR1TRPV1EPHX2FAAHPPARA
SCHEMBL13206932 0.88 MCHR1 (0.42) MCHR1TRPV1EPHX2PPARAMAPT
SCHEMBL13197934 0.88 MCHR1 (0.43) MCHR1TRPV1EPHX2PPARAMAPT
SCHEMBL1595202 0.87 EPHX2 (0.51) TRPV1EPHX2FAAHPPARAMAPT
SCHEMBL2567968 0.87 EPHX2 (0.44) MCHR1TRPV1EPHX2FAAHPPARA
SCHEMBL13197836 0.86 IGF1R (0.47) MCHR1EPHX2PPARAABL1
SCHEMBL2879704 0.86 MCHR1 (0.44) MCHR1TRPV1EPHX2PPARAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
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
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO 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 4719/4885TRPV1 4838/4885EPHX2 3922/4885

“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.