SCHEMBL6359725

SCHEMBL6359725

O=C(O)CN(CCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL5933377 0.88 TDP1 (0.66) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7228409 0.84 MEN1 (0.61) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7374440 0.84 ALOX5 (0.58) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL11241052 0.84 TDP1 (0.57) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7790181 0.82 TDP1 (0.51) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL7301929 0.82 LMNA (0.55) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL25301481 0.81 TDP1 (0.50) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL4731326 0.81 TDP1 (0.58) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL2479873 0.81 LMNA (0.59) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL2443821 0.80 KEAP1 (0.54) TDP1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 US 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-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI TDP1 342/4885MEN1 1706/4885NPC1 452/4885

“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.