SCHEMBL15944125

SCHEMBL15944125

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(/C=C/c4ccccc4)cc3)c2)cc(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.56
MAPK14 Q16539 5/20 0.45
SNCA P37840 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14824508 0.92 SMO (0.67) SMOMAPK14HDAC1MEN1KMT2A
SCHEMBL15944122 0.92 SMO (0.51) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944123 0.92 SMO (0.51) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944119 0.90 SMO (0.58) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL16886088 0.90 SMO (0.69) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944126 0.88 SMO (0.57) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944134 0.88 SMO (0.56) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944124 0.88 SMO (0.56) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944139 0.86 SMO (0.54) SMOMAPK14MAPTNPC1ALDH1A1
SCHEMBL15944127 0.84 SMO (0.53) SMOMAPK14MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1707/4885SNCA 1440/4885

“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.