SCHEMBL3316503

SCHEMBL3316503

COc1cc(N2C[C@@H](C)N(C(C)=O)C[C@@H]2C)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
SIRT6 Q8N6T7 2/20 0.49
MAPT P10636 3/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
AR P10275 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR6 P50406 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3316500 1.00 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3316506 1.00 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3319515 0.83 SIRT6 (0.60) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3313704 0.79 ALDH1A1 (0.60) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3551116 0.78 MMP2 (0.42) ALDH1A1SIRT6MAPTKMT2AMEN1
SCHEMBL3345704 0.78 ALDH1A1 (0.49) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3316004 0.77 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3316000 0.77 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL3315996 0.77 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL18035084 0.76 ALDH1A1 (0.48) ALDH1A1LMNASIRT6MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.