SCHEMBL25329932

SCHEMBL25329932

O=C(OCCOCCCBr)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 5/20 0.59
MAPT P10636 3/20 0.54
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
AGTR1 P30556 1/20 0.45

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
SCHEMBL25331020 0.96 LMNA (0.65) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL25330923 0.96 LMNA (0.65) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL10911030 0.91 L3MBTL1 (0.73) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL31259739 0.91 L3MBTL1 (0.73) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL28833898 0.88 LMNA (0.74) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL28174525 0.87 LMNA (0.76) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL28174527 0.87 LMNA (0.76) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL28174523 0.87 LMNA (0.76) L3MBTL1LMNAMAPTKMT2ATDP1
Nicoboxil SCHEMBL288321 0.86 L3MBTL1 (0.84) L3MBTL1LMNAMAPTKMT2ATDP1
Nicoboxil SCHEMBL29475326 0.86 L3MBTL1 (0.84) L3MBTL1LMNAMAPTKMT2ATDP1

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
EP-4472948-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2024-12-11 EP disclosed
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
WO-2023147161-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2023-08-03 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-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF NAMPT, NNT, NAPRT L3MBTL1 4427/4885LMNA 539/4885MAPT 1956/4885

“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.