SCHEMBL13033653

SCHEMBL13033653

Cn1c(-c2cc(N3CCN(C(=O)[C@@H]4COCCN4C(=O)OC(C)(C)C)CC3)ccc2F)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PDK2 Q15119 1/20 0.37
ALK Q9UM73 1/20 0.36
PIK3CD O00329 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
MET P08581 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDR P35968 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL13033654 1.00 SMO (0.40) SMONR1H2NR1H3PDK2ALK
SCHEMBL3511232 0.89 UCHL1 (0.42) SMOPDK2OPRM1OPRD1OGFRL1
SCHEMBL3511236 0.89 UCHL1 (0.42) SMOPDK2OPRM1OPRD1OGFRL1
SCHEMBL3511102 0.87 SMO (0.48) SMONR1H2NR1H3MEN1KMT2A
SCHEMBL13033569 0.87 SMO (0.48) SMONR1H2NR1H3MEN1KMT2A
SCHEMBL13033565 0.87 SMO (0.48) SMONR1H2NR1H3MEN1KMT2A
SCHEMBL3510738 0.86 PDK2 (0.49) SMOPDK2ALKOPRM1OPRD1
SCHEMBL13033649 0.84 PDK2 (0.43) SMOPDK2ALKOPRM1OPRD1
SCHEMBL13033589 0.80 SMO (0.38) SMONR1H2NR1H3PIK3CDOPRM1
SCHEMBL13033658 0.80 PIK3CB (0.42) SMOPIK3CDMEN1KMT2ALMNA

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO SMO 3/4885NR1H2 59/4885NR1H3 87/4885

“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.