SCHEMBL3312562

SCHEMBL3312562

COc1cc(N(C)CCN(C)CCO)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
SIRT6 Q8N6T7 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
CHEK1 O14757 5/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL3719769 0.92 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL16003471 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL30871973 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL3311685 0.83 LMNA (0.41) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL1311975 0.83 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL3314688 0.80 LMNA (0.42) SMN1; SMN2ALDH1A1SIRT6LMNATDP1
SCHEMBL3311194 0.78 ALDH1A1 (0.42) ALDH1A1TDP1BLMTSHR
SCHEMBL23653979 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA
SCHEMBL22954820 0.77 CHEK1 (0.43) SMN1; SMN2ALDH1A1SIRT6LMNAMAPT
SCHEMBL4524727 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ESIRT6LMNA

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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 (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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS SMN1; SMN2 1509/4885ALDH1A1 649/4885KDM4E 2169/4885

“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.