SCHEMBL22983344

SCHEMBL22983344

COC(=O)c1ccccc1NC(=O)c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.77
MAPT P10636 2/20 0.69
KDM4E B2RXH2 4/20 0.69
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 2/20 0.66
HPGD P15428 2/20 0.63
ALDH1A1 P00352 3/20 0.63
ALOX15 P16050 1/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
KMT2A Q03164 3/20 0.61
TSHR P16473 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL204732 0.88 KDM4E (0.65) TP53MAPTKDM4EMAPK1HSD17B10
SCHEMBL15966615 0.86 TP53 (0.68) TP53MAPTALDH1A1ALOX15HTT
SCHEMBL31087254 0.86 TP53 (0.68) TP53MAPTALDH1A1ALOX15HTT
SCHEMBL8819152 0.84 KDM4D (0.68) TP53MAPTALDH1A1ALOX15HTT
SCHEMBL11665959 0.84 TSHR (0.77) TP53MAPTKDM4EMAPK1HSD17B10
SCHEMBL7287487 0.83 SIRT2 (0.76) TP53MAPTALDH1A1ALOX15HTT
SCHEMBL6542858 0.82 KDM4E (0.60) TP53MAPTKDM4EHPGDALDH1A1
SCHEMBL4651272 0.82 MAPT (1.00) MAPTKDM4EMAPK1ALDH1A1ALOX15
SCHEMBL29989633 0.82 MAPT (1.00) MAPTKDM4EMAPK1ALDH1A1ALOX15
SCHEMBL14880379 0.81 PKM (0.79) TP53MAPTKMT2ATSHRMEN1

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-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC 2022-10-13 US disclosed
EP-4013766-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE Metro International Biotech, LLC (US) 2022-06-22 EP disclosed
WO-2021030551-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE METRO INTERNATIONAL BIOTECH, LLC (US) 2021-02-18 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-20220324899-A1 COMPOUNDS AND COMPOSITIONS FOR DIFFERENTIAL MODULATION OF NICOTINAMIDE ADENINE DINUCLEOTIDE NQO1, NAMPT, NADK TP53 1677/4885MAPT 2172/4885KDM4E 2779/4885

“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.