SCHEMBL23727740

SCHEMBL23727740

CC(c1ccc([N+](=O)[O-])cc1)N(CCN(C)C(=O)OC(C)(C)C)C(=O)CCl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
SLC6A4 P31645 2/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GSTO1 P78417 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23727847 0.85 CNR1 (0.39) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL23727715 0.78 GAA (0.41) ACHESLC6A4MAPTNPC1ALDH1A1
SCHEMBL23727742 0.78 KCNH2 (0.46) NPC1RAB9AKMT2A
SCHEMBL26548482 0.78 KMT2A (0.42) ACHESLC6A4MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL23728192 0.77 KMT2A (0.41) ACHESLC6A4MAPTNPC1RAB9A
SCHEMBL397074 0.76 AURKA (0.43) ACHESLC6A4MAPTNPC1ALDH1A1
SCHEMBL28945399 0.76 MAPT (0.43) MAPTNPC1RAB9AGSTO1ALDH1A1
Hydrochloric Acid SCHEMBL23728046 0.76 KMT2A (0.40) ACHESLC6A4MAPTNPC1RAB9A
SCHEMBL31606972 0.75 MAPT (0.52) MAPTALDH1A1GAALMNA
SCHEMBL3942738 0.75 CRHBP (0.44) ACHEMAPTALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US 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 ACHE 4531/4885SLC6A4 422/4885MAPT 718/4885

“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.