SCHEMBL15944945

SCHEMBL15944945

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(/C=C/Cc4ccccc4)cc3)c2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.61
HDAC1 Q13547 2/20 0.49
MAPK14 Q16539 2/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14810364 0.97 SMO (0.61) SMOHDAC1MAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL15938507 0.96 SMO (0.60) SMOHDAC1MAPK14MEN1KMT2A
SCHEMBL15944122 0.93 SMO (0.51) SMOHDAC1MAPK14MEN1KMT2A
SCHEMBL14824508 0.92 SMO (0.67) SMOHDAC1MAPK14MEN1KMT2A
SCHEMBL15944123 0.89 SMO (0.51) SMOHDAC1MAPK14MEN1KMT2A
SCHEMBL14809192 0.88 SMO (0.67) SMOMAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL14809786 0.88 SMO (0.67) SMOHDAC1MAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL15939026 0.87 SMO (0.66) SMOHDAC1MAPK14MEN1KMT2A
Hydrochloric Acid SCHEMBL15938613 0.87 SMO (0.66) SMOMAPK14MEN1KMT2ASMN1; SMN2
SCHEMBL8296454 0.87 SMO (0.72) SMOMAPK14MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885HDAC1 3718/4885MAPK14 1707/4885

“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.