SCHEMBL5780754

SCHEMBL5780754

Cc1nnsc1C(=O)NCC(C)(C)N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
AGTR1 P30556 1/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.46
POLB P06746 4/20 0.46
BRD4 O60885 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL24724656 0.89 GAA (0.49) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL12801566 0.80 LMNA (0.53) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL108862 0.79 LMNA (0.56) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL6361527 0.77 LMNA (0.50) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL11538276 0.76 LMNA (0.53) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL11536851 0.75 ALDH1A1 (0.49) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL11535313 0.75 ALDH1A1 (0.48) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL11539400 0.74 LMNA (0.48) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL11536831 0.74 POLB (0.58) GAAALDH1A1TDP1AGTR1LMNA
SCHEMBL12292649 0.73 LMNA (0.57) GAAALDH1A1TDP1AGTR1LMNA

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-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R GAA 3526/4885ALDH1A1 3197/4885TDP1 2529/4885

“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.