SCHEMBL1970679

SCHEMBL1970679

COC(=O)C(C)(C)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNMA1 Q12791 1/20 0.40
AR P10275 2/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3592382 0.84 TDP1 (0.63) NPSR1TDP1POLBMAPTL3MBTL1
SCHEMBL10651224 0.84 TDP1 (0.46) TDP1ATMMAPTL3MBTL1ALDH1A1
SCHEMBL6887172 0.83 NPSR1 (0.50) NPSR1TDP1POLBARGAA
SCHEMBL30484019 0.83 NPSR1 (0.50) NPSR1TDP1POLBARGAA
SCHEMBL10649330 0.82 TDP1 (0.45) TDP1ATMMAPTL3MBTL1ALDH1A1
SCHEMBL6882245 0.82 NPSR1 (0.49) NPSR1TDP1POLBATMMAPT
SCHEMBL6072565 0.80 VCAM1 (0.48) NPSR1TDP1POLBMAPTGAA
SCHEMBL4009144 0.79 NPSR1 (0.77) NPSR1TDP1POLBMAPTALDH1A1
SCHEMBL15356395 0.78 TDP1 (0.53) TDP1ATMMAPTL3MBTL1ALDH1A1
SCHEMBL9196616 0.78 ALDH1A1 (0.51) NPSR1TDP1ATMMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522668-B Oxyindole derivatives as 5ht4 receptor agonists PFIZER 2012-06-06 CN disclosed
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
CN-101522668-A Oxyindole derivatives as 5ht4 receptor agonists PFIZER JAPAN INC (US) 2009-09-02 CN disclosed
EP-1856110-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2007-11-21 EP disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
WO-2006090279-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2006-08-31 WO 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 (2 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 NPSR1 24/4885TDP1 2496/4885POLB 4788/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 NPSR1 24/4885TDP1 2496/4885POLB 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.