SCHEMBL407431

SCHEMBL407431

COC(=O)C1CCc2nc(-c3ccccc3)cn2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.47
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
P2RX7 Q99572 1/20 0.41
XDH P47989 1/20 0.41
ALDH1A3 P47895 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 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
SCHEMBL463267 0.86 WDR5 (0.52) WDR5ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL440262 0.85 WDR5 (0.51) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL14305141 0.81 WDR5 (0.45) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL29852659 0.80 LMNA (0.36) ALDH1A1TDP1NPC1RAB9ALMNA
SCHEMBL14028700 0.79 WDR5 (0.50) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL440139 0.73 TDP1 (0.49) ALDH1A1TDP1NPC1RAB9AXDH
SCHEMBL407247 0.73 TDP1 (0.49) ALDH1A1TDP1NPC1RAB9AXDH
SCHEMBL18038170 0.71 TDP1 (0.44) WDR5ALDH1A1TDP1NPC1RAB9A
SCHEMBL2224594 0.71 RAB9A (0.57) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL5311345 0.70 WDR5 (0.41) WDR5ALDH1A1NPC1RAB9ALMNA

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 4 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
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 WDR5 3363/4885ALDH1A1 272/4885TDP1 3859/4885

“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.