SCHEMBL14299169

SCHEMBL14299169

CC(=O)OCc1c[nH]c(=O)nc1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ APP P05067 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14244066 0.81 MEN1 (0.53) ALDH1A1SMN1; SMN2MAPTUSP2ALOX15
SCHEMBL2463445 0.80 APP (0.56) ALDH1A1APPMAPTACHENPSR1
SCHEMBL28526402 0.74 APP (0.55) ALDH1A1APPUSP2ALOX15MAPK1
SCHEMBL14299528 0.74 APP (0.46) ALDH1A1APPSMN1; SMN2ACHEUSP2
SCHEMBL28134373 0.73 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTL3MBTL1GAA
SCHEMBL13098121 0.68 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP2C9
E1501 SCHEMBL901210 0.67 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
E1501 SCHEMBL14031569 0.67 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
E1501 SCHEMBL43745 0.67 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
E1501 SCHEMBL28201296 0.67 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1

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
EP-2556081-B1 A CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION INST CHEMII BIOORGANICZNEJ PAN (PL) 2021-06-16 — — EP disclosed
US-9040490-B2 Cytosine analogue, a method of preparation of a cytosine analogue, a DNA methyltransferase 1 inhibitor, a method for DNA methylation inhibition, the use of the analogue in the treatment of diseases associated with deviations from normal DNA methylation INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2015-05-26 — — US disclosed
US-9040490-B2 Cytosine analogue, a method of preparation of a cytosine analogue, a DNA methyltransferase 1 inhibitor, a method for DNA methylation inhibition, the use of the analogue in the treatment of diseases associated with deviations from normal DNA methylation INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2015-05-26 — — US disclosed
US-20120322755-A1 CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2012-12-20 — — 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-20120322755-A1 CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION DNMT1, DIMT1, TPMT ALDH1A1 792/4885APP 3910/4885SMN1; SMN2 1322/4885

“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.

Send feedback