SCHEMBL5345296

SCHEMBL5345296

CN(C)CCNc1cc(Oc2ccc(N)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 7/20 0.43
LMNA P02545 2/20 0.43
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43
KAT2B Q92831 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PDE7A Q13946 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9725552 0.89 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL9725384 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL5341171 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL22478744 0.78 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL8985656 0.77 KAT2B (0.64) ALDH1A1NPSR1SMN1; SMN2MAPTBCHE
Hydrochloric Acid SCHEMBL9760520 0.77 SMN1; SMN2 (0.55) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL5343044 0.76 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL17678162 0.76 ALDH1A1 (0.59) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL5352344 0.76 ALDH1A1 (0.80) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA
SCHEMBL7745736 0.76 ALDH1A1 (0.59) ALDH1A1NPSR1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 ALDH1A1 955/4885NPSR1 4582/4885SMN1; SMN2 4300/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 ALDH1A1 955/4885NPSR1 4582/4885SMN1; SMN2 4300/4885

“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.