SCHEMBL15944124

SCHEMBL15944124

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(CCc4ccccc4)cc3)c2)cc(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.56
MAPK14 Q16539 5/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 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
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15944134 0.95 SMO (0.56) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL15944139 0.93 SMO (0.54) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL14809192 0.92 SMO (0.67) SMOMAPK14KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL15938613 0.91 SMO (0.66) SMOMAPK14KMT2AMEN1HTT
SCHEMBL17613039 0.91 SMO (0.58) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL15944119 0.90 SMO (0.58) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL16886088 0.90 SMO (0.69) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL15944127 0.90 SMO (0.53) SMOMAPK14MAPTKMT2AMEN1
SCHEMBL14810218 0.89 SMO (0.65) SMOMAPK14KMT2AMEN1HTT
SCHEMBL15944126 0.88 SMO (0.57) SMOMAPK14MAPTKMT2AMEN1

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 1707/4885MAPT 3072/4885

“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.