SCHEMBL9717090

SCHEMBL9717090

O=C(OCCO)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
LMNA P02545 4/20 0.66
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 6/20 0.59
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
USP2 O75604 2/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
AGTR1 P30556 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APP P05067 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
SCHEMBL25009812 0.91 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL30556174 0.91 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL31161094 0.90 L3MBTL1 (0.75) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL7285060 0.90 L3MBTL1 (0.75) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL18668975 0.89 LMNA (0.74) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL28836186 0.88 L3MBTL1 (0.68) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL21243071 0.88 LMNA (0.82) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL25009811 0.88 L3MBTL1 (0.82) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL29040282 0.87 LMNA (0.76) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL5363082 0.86 LMNA (0.71) L3MBTL1LMNAKMT2ATDP1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535809-A Fiber-reinforced furan resin composite material and preparation method thereof 江苏澳盛复合材料科技有限公司 2023-08-04 CN claimed
EP-0152106-B1 ANTIRHEUMATIC COMPOSITIONS Ismail, Roshdy, Dr. (DE) 1991-09-25 EP claimed
EP-4472948-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2024-12-11 EP disclosed
CN-118613472-A Nicotinamide ester and nicotinamide riboside-based compounds and derivatives thereof 新前沿生物公司 2024-09-06 CN disclosed
WO-2023147161-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2023-08-03 WO disclosed
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
US-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 US disclosed
WO-2015137680-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING STROKE AND SYSTEMIC EMBOLISM 동아에스티 주식회사 2015-09-17 WO disclosed
EP-0489581-A2 Cosmetic composition UNILEVER PLC (GB) 1992-06-10 EP disclosed
US-4329338-A NICOTINIC ACID DERIVATIVES FERROKEMIA IPARI SZOVETKEZET (HU) 1982-05-11 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-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF NAMPT, NNT, NAPRT L3MBTL1 4427/4885LMNA 539/4885KMT2A 1449/4885

“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.