SCHEMBL3312862

SCHEMBL3312862

COc1cc(N2CCCC2C(=O)N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
SIRT6 Q8N6T7 1/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 7/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3312479 0.85 ALDH1A1 (0.60) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3315348 0.84 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL15507732 0.83 ALDH1A1 (0.59) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL2482642 0.78 SIRT6 (0.55) ALDH1A1LMNASIRT6MAPTKDM4E
SCHEMBL1230074 0.77 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL2480471 0.76 ALDH1A1 (0.54) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL31481091 0.76 MAPT (0.56) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2207917 0.76 ALDH1A1 (0.56) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL12312156 0.75 ALDH1A1 (0.71) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL29833145 0.75 ALDH1A1 (0.71) ALDH1A1LMNAMAPTKMT2AMEN1

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 ALDH1A1 649/4885LMNA 3341/4885SIRT6 1324/4885

“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.