SCHEMBL22983264

SCHEMBL22983264

CN(C)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
GFER P55789 1/20 0.58
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.56
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
HIF1A Q16665 1/20 0.52
NAMPT P43490 1/20 0.52

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
SCHEMBL3079077 0.89 MAPT (0.62) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL9717097 0.85 L3MBTL1 (0.67) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL7336785 0.84 ALDH1A1 (0.79) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL14880158 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTNPSR1
Tetracaine SCHEMBL9146860 0.79 LMNA (0.72) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
Tetracaine SCHEMBL9146334 0.79 LMNA (0.72) RAB9AMAPTALDH1A1KMT2ACYP3A4
SCHEMBL19380056 0.78 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL3637857 0.76 NPSR1 (0.75) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL8252721 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL21391312 0.76 ROCK2 (0.71) RAB9ANPC1SMN1; SMN2MAPTNPSR1

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 RAB9A 1443/4885NPC1 309/4885SMN1; SMN2 482/4885

“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.