SCHEMBL14810364

SCHEMBL14810364

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(C/C=C/c4ccccc4)cc3)c2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.61
MAPK14 Q16539 1/20 0.49
HDAC1 Q13547 3/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL15938507 0.99 SMO (0.60) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL15944945 0.97 SMO (0.61) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL15944123 0.93 SMO (0.51) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL14824508 0.92 SMO (0.67) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL15944122 0.89 SMO (0.51) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL14809192 0.88 SMO (0.67) SMOMAPK14MEN1KMT2ATDP1
SCHEMBL14809786 0.88 SMO (0.67) SMOMAPK14HDAC1MEN1KMT2A
Hydrochloric Acid SCHEMBL15939026 0.87 SMO (0.66) SMOMAPK14HDAC1MEN1KMT2A
Hydrochloric Acid SCHEMBL15938613 0.87 SMO (0.66) SMOMAPK14MEN1KMT2ATDP1
SCHEMBL8296454 0.87 SMO (0.72) SMOMAPK14MEN1KMT2AALDH1A1

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-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
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 claimed
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 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
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 1707/4885HDAC1 3718/4885

“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.