SCHEMBL442885

SCHEMBL442885

COC(=O)C1CCC(c2nnc(-c3ccccn3)o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48
TNKS O95271 2/20 0.48
PARP1 P09874 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
FAAH O00519 8/20 0.45
CES1 P23141 5/20 0.42
NCEH1 Q6PIU2 1/20 0.42
RAB9A P51151 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SMO Q99835 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL408265 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDPKMTNKS
SCHEMBL442884 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDPKMTNKS
SCHEMBL440355 0.85 TNKS (0.51) KDM4EALDH1A1HPGDPKMTNKS
SCHEMBL408300 0.85 TNKS (0.51) KDM4EALDH1A1HPGDPKMTNKS
SCHEMBL408245 0.83 TNKS (0.50) KDM4EALDH1A1TNKSPARP1PARP2
SCHEMBL437121 0.83 TNKS (0.50) KDM4EALDH1A1TNKSPARP1PARP2
SCHEMBL4529678 0.78 NPC1 (0.62) ALDH1A1HPGDRAB9AMAPK1SMN1; SMN2
SCHEMBL408370 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTNKSPARP1
SCHEMBL439177 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTNKSPARP1
SCHEMBL442998 0.78 PKM (0.41) KDM4EPKMSMN1; SMN2

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 KDM4E 2452/4885ALDH1A1 272/4885HPGD 1034/4885

“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.