SCHEMBL23728129

SCHEMBL23728129

O=C(O)NCC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.75
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MMP2 P08253 1/20 0.47
RAB9A P51151 2/20 0.46
BCAT2 O15382 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MARS2 Q96GW9 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 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
SCHEMBL2343711 0.87 NPC1 (0.56) NPC1MEN1KMT2AALDH1A1CNR1
SCHEMBL28797399 0.84 NPC1 (0.71) NPC1MEN1KMT2AALDH1A1NPSR1
SCHEMBL17087086 0.83 NPC1 (0.69) NPC1MEN1KMT2AALDH1A1NPSR1
SCHEMBL23727617 0.83 NPC1 (0.52) NPC1MEN1KMT2AALDH1A1CNR1
SCHEMBL15229375 0.82 MEN1 (0.56) NPC1MEN1KMT2AALDH1A1BCAT2
SCHEMBL29206351 0.82 KMT2A (0.73) NPC1MEN1KMT2AALDH1A1CNR1
SCHEMBL4872704 0.81 NPC1 (0.61) NPC1MEN1KMT2AALDH1A1NPSR1
SCHEMBL6693064 0.80 NPC1 (0.69) NPC1MEN1KMT2AALDH1A1NPSR1
SCHEMBL2294626 0.80 NPC1 (0.69) NPC1MEN1KMT2AALDH1A1NPSR1
SCHEMBL2295601 0.80 NPC1 (0.69) NPC1MEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313157-A1 ENZYME-TRIGGERED SELF-REACTING LINKER HAVING IMPROVED PHYSICOCHEMICAL AND PHARMACOLOGICAL PROPERTIES Mablink Bioscience (FR) 2024-02-07 EP disclosed
WO-2023170247-A1 ANTIBODY-DRUG CONJUGATES AND THEIR USES MABLINK BIOSCIENCE (FR) 2023-09-14 WO disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 NPC1 463/4885MEN1 484/4885KMT2A 1669/4885

“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.