SCHEMBL12846983

SCHEMBL12846983

COC(=O)C(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KCNMA1 Q12791 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TTR P02766 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 1/20 0.39
DTYMK P23919 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
SCHEMBL12846984 0.86 TDP1 (0.47) TDP1ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL31548078 0.84 SIRT6 (0.56) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL137523 0.84 SIRT6 (0.56) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL19046539 0.81 VCAM1 (0.55) ALDH1A1NPSR1SIRT6MEN1LMNA
SCHEMBL4647431 0.79 TDP1 (0.56) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL691635 0.78 TDP1 (0.51) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL1668445 0.78 ALDH1A1 (0.51) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL2706439 0.78 ALDH1A1 (0.59) TDP1MAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL27834938 0.77 ATM (0.41) TDP1ATMMAPTALDH1A1KCNMA1
SCHEMBL16953719 0.77 ATM (0.58) TDP1ATMMAPTALDH1A1NPSR1

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 TDP1 4309/4885ATM 4451/4885MAPT 4788/4885

“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.