SCHEMBL3512435

SCHEMBL3512435

CN1CCN(C(=O)C2CCCN(c3cccc(-c4nc5ccccc5n4C)c3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 9/20 0.58
▸ BRD4 O60885 2/20 0.44
▸ DGAT2 Q96PD7 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL1624451 1.00 SMO (0.58) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1624522 0.97 SMO (0.56) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1624660 0.94 SMO (0.58) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1622920 0.94 SMO (0.58) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1624927 0.94 SMO (0.58) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1624291 0.94 SMO (0.57) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1623715 0.94 SMO (0.57) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL1624800 0.94 SMO (0.57) SMOBRD4DGAT2HDAC1HDAC8
SCHEMBL13033856 0.92 SMO (0.60) SMOHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL1624939 0.91 SMO (0.49) SMOBRD4DGAT2HDAC1HDAC8

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-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 — — 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 3/4885BRD4 458/4885DGAT2 719/4885

“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.

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