SCHEMBL26548482

SCHEMBL26548482

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
GSTO1 P78417 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38

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
Hydrochloric Acid SCHEMBL23728192 0.99 KMT2A (0.41) KMT2ANPC1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL23728046 0.98 KMT2A (0.40) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL23727848 0.84 ACHE (0.39) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL28945399 0.83 MAPT (0.43) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL23727847 0.83 CNR1 (0.39) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL23727740 0.78 ACHE (0.37) KMT2ANPC1MAPTALDH1A1LMNA
SCHEMBL2296361 0.77 KMT2A (0.48) KMT2ANPC1ALDH1A1CNR1CNR2
SCHEMBL2299354 0.77 KMT2A (0.48) KMT2ANPC1ALDH1A1CNR1CNR2
SCHEMBL2297011 0.77 KMT2A (0.48) KMT2ANPC1ALDH1A1CNR1CNR2
SCHEMBL2295617 0.77 KMT2A (0.48) KMT2ANPC1ALDH1A1CNR1CNR2

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 2 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

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 KMT2A 1669/4885NPC1 463/4885MAPT 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.