SCHEMBL970884

SCHEMBL970884

[c]1cccc2oc(-c3cc[nH]n3)nc12

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3498646 0.76 NPC1 (0.54) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL547804 0.76 NPC1 (0.50) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL971947 0.75 L3MBTL1 (0.41) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL7292291 0.72 SMN1; SMN2 (0.42) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL9590894 0.70 PIK3CB (0.43) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL695330 0.69 RAB9A (0.43) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL693715 0.69 SMN1; SMN2 (0.43) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL693811 0.68 NPC1 (0.48) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL693840 0.68 KDM4E (0.54) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL3322328 0.67 PSEN1 (0.39) NPC1ALDH1A1TP53HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (3 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD NPC1 4180/4885ALDH1A1 902/4885TP53 4350/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD NPC1 4180/4885ALDH1A1 902/4885TP53 4350/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK NPC1 3631/4885ALDH1A1 1059/4885TP53 4147/4885

“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.