SCHEMBL407247

SCHEMBL407247

COC(=O)[C@H]1CC[C@H](c2nc(-c3ccccc3)cn2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TNK2 Q07912 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL440139 1.00 TDP1 (0.49) TDP1TNK2ALDH1A1MAPTHPGD
SCHEMBL440765 0.80 KDM4E (0.42) ALDH1A1HPGDHSD17B10ADORA3ADORA2A
SCHEMBL440764 0.80 KDM4E (0.42) ALDH1A1HPGDHSD17B10ADORA3ADORA2A
SCHEMBL440195 0.74 TDP1 (0.43) TDP1TNK2ALDH1A1MAPTHPGD
SCHEMBL407689 0.74 TDP1 (0.43) TDP1TNK2ALDH1A1MAPTHPGD
SCHEMBL181066 0.74 AKR1C3 (0.56) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL3540595 0.74 AKR1C3 (0.56) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL407431 0.73 WDR5 (0.47) TDP1ALDH1A1MAPTHPGDNPSR1
SCHEMBL25317065 0.73 PTGS1 (0.41) ALDH1A1MAPTHPGDHSD17B10PDE10A
Hydrochloric Acid SCHEMBL9408047 0.72 NPC1 (0.47) NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT TDP1 3859/4885TNK2 3819/4885ALDH1A1 272/4885

“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.