SCHEMBL15944126

SCHEMBL15944126

COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(Oc4ccccc4)cc3)c2)cc(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.57
NR1H4 Q96RI1 1/20 0.50
MAPK14 Q16539 5/20 0.46
RAB9A P51151 2/20 0.44
PGR P06401 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 4/20 0.43
EGFR P00533 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
SCHEMBL15944741 0.92 SMO (0.68) SMONR1H4MAPK14MEN1KMT2A
SCHEMBL16886088 0.91 SMO (0.69) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944119 0.91 SMO (0.58) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944127 0.89 SMO (0.53) SMONR1H4MAPK14RAB9ANPC1
SCHEMBL15944134 0.88 SMO (0.56) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944124 0.88 SMO (0.56) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944125 0.88 SMO (0.56) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944139 0.87 SMO (0.54) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL17613039 0.84 SMO (0.58) SMOMAPK14RAB9ANPC1ALDH1A1
SCHEMBL15944122 0.84 SMO (0.51) SMOMAPK14RAB9ANPC1ALDH1A1

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 1/4885NR1H4 761/4885MAPK14 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.