SCHEMBL13033778

SCHEMBL13033778

Cn1c(-c2cccc(N3CCN(C(=O)[C@@H]4CCN4)CC3)c2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.52
KHK P50053 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CD O00329 4/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
PHGDH O43175 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13033781 0.96 SMO (0.51) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033577 0.95 KHK (0.52) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033539 0.95 KHK (0.52) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033732 0.94 KHK (0.53) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033744 0.94 KHK (0.53) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033548 0.94 KHK (0.53) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033810 0.93 SMO (0.50) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033815 0.93 SMO (0.50) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033746 0.92 KHK (0.51) SMOKHKMEN1KMT2APIK3CD
SCHEMBL13033734 0.92 KHK (0.51) SMOKHKMEN1KMT2APIK3CD

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 3/4885KHK 4037/4885MEN1 3442/4885

“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.