SCHEMBL12336748

SCHEMBL12336748

CC(=O)C(O)c1c[nH]c(=O)nc1NCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ REN P00797 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL2467960 0.78 KMT2A (0.67) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL14244066 0.76 MEN1 (0.53) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL2463433 0.76 KMT2A (0.57) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL14299174 0.70 KMT2A (0.53) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL2460338 0.67 KMT2A (0.55) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL20119937 0.65 SMN1; SMN2 (0.48) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL17009454 0.65 SMN1; SMN2 (0.46) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL2460686 0.64 REN (0.47) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL2902712 0.64 REN (0.68) MEN1KMT2AHSD17B10PKMSMN1; SMN2
SCHEMBL25873857 0.63 SMN1; SMN2 (0.49) MEN1KMT2AHSD17B10PKMSMN1; SMN2

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-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
WO-2011115513-A2 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 INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2011-09-22 — — 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 (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 MEN1 715/4885KMT2A 111/4885HSD17B10 1961/4885

“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.

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