SCHEMBL557952

SCHEMBL557952

NCC(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
BLM P54132 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGLL Q99685 3/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL2581743 0.82 ALDH1A1 (0.41) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL269178 0.82 ALDH1A1 (0.41) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL28991876 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL22203032 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL558062 0.78 ALDH1A1 (0.57) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL28390950 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL16862478 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL9809890 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL28928300 0.78 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL28100145 0.78 ALDH1A1 (0.35) ALDH1A1BLMCYP1A2HPGDCYP2C19

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-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-02-09 US disclosed
CN-102216779-A Method for the preparation of immunoconjugates and use thereof XEPTAGEN SPA 2011-10-12 CN disclosed
EP-0847991-A1 Method for the preparation of N-(carboxyalkyl) imides DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-06-17 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-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES NUP205, PABPC1, SARNP ALDH1A1 3315/4885BLM 545/4885CYP1A2 4881/4885

“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.