SCHEMBL8222790

SCHEMBL8222790

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3cccc(-c4ccccc4)c3)c2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.70
MAPK14 Q16539 2/20 0.62
ABCB1 P08183 4/20 0.55
ABCC1 P33527 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8225752 0.93 SMO (0.82) SMOMAPK14ABCB1
SCHEMBL8296454 0.92 SMO (0.72) SMOMAPK14MEN1ALDH1A1KMT2A
SCHEMBL8216455 0.90 SMO (0.71) SMOMAPK14ABCB1
SCHEMBL15492187 0.89 SMO (0.76) SMOMAPK14ABCB1
SCHEMBL14809743 0.89 SMO (0.70) SMOMAPK14MEN1KMT2A
SCHEMBL8223132 0.89 SMO (0.79) SMOMAPK14ABCB1MEN1KMT2A
Hydrochloric Acid SCHEMBL15938685 0.88 SMO (0.69) SMOMAPK14MEN1KMT2A
SCHEMBL11911340 0.86 SMO (0.71) SMOMAPK14ABCB1ALDH1A1
SCHEMBL15944741 0.85 SMO (0.68) SMOMAPK14MEN1KMT2A
SCHEMBL14809786 0.84 SMO (0.67) SMOMAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 US claimed
EP-2456754-B1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY UNIV STRASBOURG (FR) 2014-02-26 EP claimed
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US claimed
EP-2456754-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY Universite De Strasbourg (FR) 2012-05-30 EP claimed
WO-2011010013-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-27 WO claimed
US-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 US disclosed
US-8889678-B2 Acyl guanidine derivatives modulating the hedgehog protein signaling pathway CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-18 US disclosed
EP-2456754-B1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY UNIV STRASBOURG (FR) 2014-02-26 EP disclosed
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US disclosed
US-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway UNIVERSITE DE STRASBOURG (FR) 2012-08-02 US disclosed
EP-2456754-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY Universite De Strasbourg (FR) 2012-05-30 EP disclosed
WO-2011010013-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-27 WO disclosed
WO-2011010013-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-27 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-20120196865-A1 Acyl Guanidine Derivatives Modulating The Hedgehog Protein Signaling Pathway SHH, GLI1, SMO SMO 3/4885MAPK14 1421/4885ABCB1 3465/4885

“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.