SCHEMBL2551204

SCHEMBL2551204

O=[N+]([O-])c1ccccc1-c1nc2cc(CN3CCC(F)C3)cnc2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.46
S1PR3 Q99500 7/20 0.46
MAPK1 P28482 1/20 0.36
GRM2 Q14416 1/20 0.35
LTA4H P09960 1/20 0.35
ACHE P22303 2/20 0.35
KMT2A Q03164 1/20 0.35
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ROCK1 Q13464 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ADORA2A P29274 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
SCHEMBL14876625 1.00 S1PR1 (0.46) S1PR1S1PR3MAPK1GRM2LTA4H
SCHEMBL2482859 0.87 S1PR1 (0.44) S1PR1S1PR3KMT2AMGAMGAA
SCHEMBL14877364 0.84 S1PR1 (0.47) S1PR1S1PR3GRM2LTA4HKMT2A
SCHEMBL14877363 0.84 S1PR1 (0.47) S1PR1S1PR3GRM2LTA4HKMT2A
SCHEMBL2835443 0.82 S1PR1 (0.46) S1PR1S1PR3KMT2AGAA
SCHEMBL2835437 0.82 S1PR1 (0.46) S1PR1S1PR3KMT2AGAA
SCHEMBL12342538 0.78 MGAM (0.45) S1PR1S1PR3MGAMGAASI
SCHEMBL221258 0.78 MGAM (0.42) S1PR1S1PR3KMT2AMGAMGAA
SCHEMBL2636936 0.78 MGAM (0.42) S1PR1S1PR3KMT2AMGAMGAA
SCHEMBL12342536 0.78 MGAM (0.42) S1PR1S1PR3MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993236-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Glaxosmithkline LLC (US) 2016-03-09 EP disclosed
US-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS GLAXOSMITHKLINE LLC 2013-04-25 US disclosed
EP-2558589-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Sirtris Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
WO-2011130595-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 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-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRT1, SIRT7, SIRT2 S1PR1 4265/4885S1PR3 3951/4885MAPK1 2385/4885

“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.