SCHEMBL4670685

SCHEMBL4670685

COc1ccc2cc(C=NCc3ccccc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
G6PC1 P35575 2/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
MAOA P21397 1/20 0.46
NQO2 P16083 1/20 0.45
SHBG P04278 1/20 0.45
TRPA1 O75762 1/20 0.45
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.42
CA2 P00918 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL4670681 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2A6G6PC1GRIN1
SCHEMBL11984337 0.86 G6PC1 (0.60) SMN1; SMN2CYP1A2G6PC1TRPA1MAPT
SCHEMBL8543996 0.86 G6PC1 (0.60) SMN1; SMN2CYP1A2G6PC1TRPA1MAPT
SCHEMBL10689028 0.85 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2G6PC1GRIN1GRIN2B
SCHEMBL13197245 0.85 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2G6PC1GRIN1GRIN2B
SCHEMBL14346251 0.84 SMN1; SMN2 (0.58) SMN1; SMN2GRIN1GRIN2BMAPTKDM4E
SCHEMBL23934771 0.80 CYP1A2 (0.46) CYP1A2CYP2A6MAOANQO2MAOB
SCHEMBL10322462 0.80 CA2 (0.54) SMN1; SMN2G6PC1TRPA1MAPTKDM4E
SCHEMBL8544003 0.80 CA2 (0.54) SMN1; SMN2G6PC1TRPA1MAPTKDM4E
SCHEMBL6124203 0.78 G6PC1 (0.51) SMN1; SMN2G6PC1TRPA1MAPTKDM4E

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
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 SMN1; SMN2 2465/4885CYP1A2 766/4885CYP2A6 216/4885

“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.