SCHEMBL10314595

SCHEMBL10314595

CCCOc1c(C=O)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.48
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL10314574 0.93 SMO (0.48) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10314550 0.92 SMO (0.49) SMONPC1RAB9AMEN1KMT2A
SCHEMBL12962746 0.90 LMNA (0.43) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10314562 0.89 SMO (0.48) SMONPC1RAB9AMEN1KMT2A
SCHEMBL12962752 0.88 SMO (0.49) SMONPC1RAB9AMEN1KMT2A
SCHEMBL1062707 0.87 SMO (0.53) SMONPC1RAB9AMEN1KMT2A
SCHEMBL12963044 0.87 SMO (0.49) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10314558 0.87 SMO (0.52) SMONPC1RAB9AALDH1A1GAA
SCHEMBL12962751 0.87 SMO (0.46) SMONPC1RAB9AMEN1KMT2A
SCHEMBL10314554 0.87 SMO (0.42) SMONPC1RAB9AMEN1KMT2A

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-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885NPC1 568/4885RAB9A 2411/4885

“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.