SCHEMBL3864591

SCHEMBL3864591

CC(=O)COc1ccc(CCC(=O)NN)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 3/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
F2RL1 P55085 1/20 0.44
PTPN1 P18031 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
SCHEMBL3862543 0.85 KMT2A (0.49) KMT2AGAAMEN1POLBCYP2C19
SCHEMBL3861180 0.85 ALDH1A1 (0.51) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL4411258 0.84 MAPT (0.54) KMT2AGAAMEN1POLBALDH1A1
SCHEMBL3862402 0.84 GAA (0.48) KMT2AGAAMEN1POLBCYP2C19
SCHEMBL8402471 0.81 ADRB2 (0.56) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL13903016 0.81 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL4409663 0.80 FFAR1 (0.56) GAAPOLBCYP2C19ALDH1A1LMNA
SCHEMBL2185554 0.79 TAAR1 (0.53)
SCHEMBL6538553 0.78 S1PR4 (0.57) LMNAL3MBTL1
SCHEMBL8402106 0.77 PPARA (0.51) ALDH1A1LMNAL3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 US claimed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US claimed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP claimed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 WO claimed
US-20090253166-A1 Conjugation of Peptides NOVO NORDISK A/S (DK) 2009-10-08 US disclosed
US-20090176967-A1 Conjugation of FVII NOVO NORDISK HEALTHCARE A/G (CH) 2009-07-09 US disclosed
US-7524813-B2 Selectively conjugated peptides and methods of making the same NOVO NORDISK HEALTH CARE AG (CH) 2009-04-28 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
EP-1778838-A2 CONJUGATION OF FVII Novo Nordisk Health Care AG (CH) 2007-05-02 EP disclosed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP disclosed
WO-2006013202-A2 CONJUGATION OF FVII NOVO NORDISK HEALTH CARE AG (DK) 2006-02-09 WO disclosed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 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 (3 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-20090176967-A1 Conjugation of FVII F13B, F13A1, FGB KMT2A 3202/4885GAA 3379/4885MEN1 2945/4885
US-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP KMT2A 2475/4885GAA 426/4885MEN1 1266/4885
US-20090253166-A1 Conjugation of Peptides DNPEP, ENPEP, ANPEP KMT2A 2475/4885GAA 426/4885MEN1 1266/4885

“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.