SCHEMBL440355

SCHEMBL440355

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.51
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 3/20 0.51
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 6/20 0.43
THRB P10828 1/20 0.43
CES1 P23141 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
PDE10A Q9Y233 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
ADCY1 Q08828 1/20 0.41

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
SCHEMBL408300 1.00 TNKS (0.51) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL408265 0.85 KDM4E (0.48) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL442884 0.85 KDM4E (0.48) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL442885 0.85 KDM4E (0.48) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL406906 0.82 NPC1 (0.53) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL440037 0.82 NPC1 (0.53) TNKSPARP1PARP2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL15575349 0.79 TNKS (0.47) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL441020 0.76 ALDH1A1 (0.68) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL407361 0.76 ALDH1A1 (0.68) TNKSPARP1PARP2KDM4EALDH1A1
SCHEMBL408394 0.75 NPC1 (0.42) KDM4ENPC1RAB9ALMNAADCY1

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 4718/4885PARP1 4556/4885PARP2 4547/4885

“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.