SCHEMBL3311685

SCHEMBL3311685

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
CHEK1 O14757 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 0.85 ALDH1A1 (0.52) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL16003471 0.83 ALDH1A1 (0.45) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL30871973 0.83 ALDH1A1 (0.45) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL3312562 0.83 SMN1; SMN2 (0.47) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL3312302 0.80 ALDH1A1 (0.40) LMNAMAPTALDH1A1TDP1CHEK1
SCHEMBL22954820 0.78 CHEK1 (0.43) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL3314688 0.78 LMNA (0.42) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL1311975 0.76 ALDH1A1 (0.54) LMNAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL23653979 0.76 ALDH1A1 (0.40) LMNAMAPTSMN1; SMN2BACE1ALDH1A1
SCHEMBL4524727 0.75 ALDH1A1 (0.42) LMNAMAPTSMN1; SMN2BACE1ALDH1A1

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 LMNA 3341/4885MAPT 2130/4885SMN1; SMN2 1509/4885

“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.