SCHEMBL4714286

SCHEMBL4714286

CCOC(=O)c1cc(-c2cccc(OC)c2)n[nH]1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
PLK1 P53350 1/20 0.67
TP53 P04637 2/20 0.62
ALPL P05186 3/20 0.62
HPGDS O60760 2/20 0.61
GAA P10253 2/20 0.60
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL23755314 0.86 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2888912 0.86 MAPT (1.00) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16730821 0.85 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13710322 0.85 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL595997 0.84 ALPL (0.75) MAPTNPC1RAB9AL3MBTL1TP53
SCHEMBL30716607 0.84 ALPL (0.74) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16699171 0.84 ALPL (0.74) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL16700939 0.84 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3448593 0.83 MAPT (0.78) MAPTSMN1; SMN2PLK1TP53ALPL
SCHEMBL11982068 0.82 MAPT (0.76) MAPTSMN1; SMN2NPC1RAB9APLK1

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPT 1363/4885SMN1; SMN2 3576/4885NPC1 3564/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPT 2038/4885SMN1; SMN2 2997/4885NPC1 3680/4885

“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.