SCHEMBL2188278

SCHEMBL2188278

O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
TDP1 Q9NUW8 2/20 0.69
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
POLB P06746 2/20 0.63
RAB9A P51151 1/20 0.63
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
CRBN Q96SW2 2/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL2188282 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL2188279 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL4920966 0.85 KMT2A (0.64) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6099597 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL9025236 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6099592 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6099600 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6098746 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL7898746 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL7898749 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361246-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS Pfizer Inc. (US) 2011-08-31 EP disclosed
US-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2011-07-14 US disclosed
WO-2010038167-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS PFIZER INC. (US) 2010-04-08 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 (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-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof GRIK5, GABRE, GRIK2 ALDH1A1 1118/4885SMN1; SMN2 2115/4885TDP1 2790/4885

“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.