SCHEMBL2656846

SCHEMBL2656846

COCCOc1cc(Cl)cnc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 16/20 0.50
PLAU P00749 1/20 0.50
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5582814 0.83 NPC1 (0.43) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL8561264 0.82 S1PR4 (0.39) S1PR4PLAUNPC1LMNAMAPT
SCHEMBL2657961 0.81 S1PR4 (0.41) S1PR4PLAUNPC1LMNAMAPT
SCHEMBL16235378 0.77 GAA (0.40) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL18839589 0.77 PLAU (0.41) S1PR4PLAULMNAMAPT
SCHEMBL2657236 0.76 MAPT (0.46) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL2338881 0.74 KMT2A (0.53) S1PR4PLAUNPC1MAPTCTDSP1
SCHEMBL2659190 0.73 SLC6A4 (0.44) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL6436859 0.73 PLAU (0.60) S1PR4PLAUL3MBTL1
SCHEMBL3142475 0.73 S1PR4 (0.63) S1PR4NPC1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
EP-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
EP-2195312-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-06-16 EP disclosed
WO-2009046784-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS HK1, GCKR, GCK S1PR4 3995/4885PLAU 1952/4885NPC1 2816/4885

“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.