SCHEMBL16299451

SCHEMBL16299451

NC(=O)CNC(=O)CCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
RECQL P46063 1/20 0.37
PTPN1 P18031 1/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
KCNK3 O14649 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL5285987 0.82 RECQL (0.38) RECQLGAAALDH1A1MAOAMAOB
SCHEMBL31261082 0.80 MAOA (0.40) RECQLGAAALDH1A1MAOAMAOB
SCHEMBL3685052 0.79
SCHEMBL11306604 0.78 CA1 (0.38) RECQLGAAALDH1A1MAOAMAOB
SCHEMBL9870186 0.78 PHF8 (0.52) RECQLALDH1A1
SCHEMBL7771322 0.78 CTSD (0.52) RECQLGAAALDH1A1MEN1FAAH
SCHEMBL7517148 0.77 PTPN1 (0.53) NAAARECQLPTPN1ALDH1A1MEN1
SCHEMBL24075889 0.76 ALDH1A1 (0.46) RECQLGAAALDH1A1FAAHBLM
SCHEMBL15764778 0.76 MAOA (0.47) RECQLGAAALDH1A1MAOAMAOB
SCHEMBL7771570 0.75 FAAH (0.44) RECQLPTPN1GAAALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189866-A1 POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO disclosed
EP-2753642-B1 GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS ASCENDIS PHARMA A/S (DK) 2012-07-26 US disclosed
US-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker ASCENDIS PHARMA A/S (DK) 2012-06-21 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 (2 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-20120156260-A1 Prodrugs Containing an Aromatic Amine Connected By an Amido Bond to a Linker DAO, DNPEP, DDC NAAA 43/4885RECQL 2337/4885PTPN1 2722/4885
US-20120191039-A1 CARRIER LINKED PRAMIPEXOLE PRODRUGS PRAP1, LPXN, DNPEP NAAA 469/4885RECQL 3915/4885PTPN1 2103/4885

“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.