SCHEMBL4035828

SCHEMBL4035828

[CH2]N1CCN(C(=O)NCCCCC)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HTT P42858 3/20 0.58
NAMPT P43490 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP2 P42575 1/20 0.47
EPHX1 P07099 4/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44

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
SCHEMBL28165171 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL4285086 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL28273729 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL10739048 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL10739485 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL24176160 0.91 TDP1 (0.65) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL4035829 0.86 TDP1 (0.59) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL28838938 0.86 TDP1 (0.59) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL8397091 0.85 HTT (0.62) TDP1HTTNAMPTKMT2AMEN1
SCHEMBL10520613 0.84 NAMPT (0.59) TDP1HTTNAMPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TDP1 2211/4885HTT 4346/4885NAMPT 2571/4885

“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.