SCHEMBL8219590

SCHEMBL8219590

COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.79
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
KCNK9 Q9NPC2 3/20 0.59
KCNK3 O14649 2/20 0.59
ATM Q13315 1/20 0.59
POLB P06746 2/20 0.58
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL15492210 0.93 SMO (0.69) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8211867 0.93 SMO (0.77) SMOMEN1KMT2AATMPOLB
SCHEMBL8221257 0.91 SMO (0.66) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8224616 0.91 SMO (0.65) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8221387 0.90 SMO (0.65) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8224661 0.90 SMO (0.64) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8221492 0.90 SMO (0.64) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8859400 0.88 SMO (1.00) SMOMEN1KMT2AKCNK9KCNK3
SCHEMBL8211832 0.88 SMO (0.62) SMOMEN1KMT2APOLBGAA
SCHEMBL11911338 0.88 SMO (0.67) SMOMEN1KMT2APOLBGAA

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 15 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
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
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 3/4885MEN1 4544/4885KMT2A 2329/4885

“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.