SCHEMBL14809192

SCHEMBL14809192

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(CCc4ccccc4)cc3)c2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.67
MAPK14 Q16539 1/20 0.54
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46

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
Hydrochloric Acid SCHEMBL15938613 0.99 SMO (0.66) SMOMAPK14LMNAHTTSMN1; SMN2
SCHEMBL14810218 0.96 SMO (0.65) SMOMAPK14LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL15938876 0.96 SMO (0.64) SMOMAPK14LMNAHTTSMN1; SMN2
SCHEMBL14809786 0.94 SMO (0.67) SMOMAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL15939026 0.94 SMO (0.66) SMOMAPK14MEN1KMT2A
SCHEMBL15944124 0.92 SMO (0.56) SMOMAPK14HTTSMN1; SMN2MEN1
SCHEMBL8296454 0.92 SMO (0.72) SMOMAPK14MEN1KMT2A
SCHEMBL8225752 0.90 SMO (0.82) SMOMAPK14
SCHEMBL14809743 0.90 SMO (0.70) SMOMAPK14MEN1KMT2A
SCHEMBL14810121 0.90 SMO (0.63) SMOMAPK14SMN1; SMN2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758369-B1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NAT RECH SCIENT (FR) 2016-03-23 EP claimed
US-8981149-B2 Compounds modulating the hedgehog protein signaling pathway, marked forms thereof, and applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US claimed
US-20140228441-A1 Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-14 US claimed
EP-2758369-B1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NAT RECH SCIENT (FR) 2016-03-23 EP disclosed
EP-2758369-B1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NAT RECH SCIENT (FR) 2016-03-23 EP disclosed
US-8981149-B2 Compounds modulating the hedgehog protein signaling pathway, marked forms thereof, and applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US disclosed
US-20140228441-A1 Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-14 US disclosed
EP-2758369-A1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS Centre National De La Recherche Scientifique (FR) 2014-07-30 EP disclosed
WO-2013042082-A1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-28 WO disclosed
WO-2013042082-A1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-28 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-20140228441-A1 Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications SMO, SHH, GLI1 SMO 1/4885MAPK14 1707/4885LMNA 4339/4885

“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.