SCHEMBL437121

SCHEMBL437121

COC(=O)C1CCC(c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.50
PARP2 Q9UGN5 2/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 3/20 0.47
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTPN1 P18031 1/20 0.47
HDAC3 O15379 1/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL408245 1.00 TNKS (0.50) TNKSPARP2POLBMAPK1MAPT
SCHEMBL407317 0.93 TNKS (0.46) TNKSPARP2POLBMAPK1MAPT
SCHEMBL29988751 0.88 ALDH1A1 (0.60) TNKSPARP2POLBMAPK1MAPT
SCHEMBL439177 0.87 ALDH1A1 (0.62) TNKSPARP2POLBMAPK1MAPT
SCHEMBL408370 0.87 ALDH1A1 (0.62) TNKSPARP2POLBMAPK1MAPT
SCHEMBL406906 0.85 NPC1 (0.53) TNKSPARP2MAPK1MAPTHSD11B1
SCHEMBL440037 0.85 NPC1 (0.53) TNKSPARP2MAPK1MAPTHSD11B1
SCHEMBL408265 0.83 KDM4E (0.48) TNKSPARP2POLBMAPK1ALDH1A1
SCHEMBL442885 0.83 KDM4E (0.48) TNKSPARP2POLBMAPK1ALDH1A1
SCHEMBL442884 0.83 KDM4E (0.48) TNKSPARP2POLBMAPK1ALDH1A1

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 TNKS 4718/4885PARP2 4547/4885POLB 2752/4885

“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.