SCHEMBL4670306

SCHEMBL4670306

N#CCOc1ccc2cc(CN)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.44
AGXT P21549 2/20 0.43
MELK Q14680 1/20 0.42
ST14 Q9Y5Y6 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.39
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
FFAR1 O14842 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
Hydrochloric Acid SCHEMBL30580197 0.81 MAOB (0.46) NOS1NOS2LOXL2FFAR1
Hydrochloric Acid SCHEMBL25369506 0.81 MAOB (0.46) NOS1NOS2LOXL2FFAR1
SCHEMBL4670561 0.80 ALDH1A1 (0.42) AGXTKDM4EALDH1A1ALDH2GLA
SCHEMBL11026671 0.79 AGXT (0.57) AGXTKDM4EALDH1A1ALDH2GLA
SCHEMBL4675400 0.79 NOS1 (0.42) KDM4EALDH1A1ALDH2GLAGAA
SCHEMBL15345375 0.78 NQO1 (0.48) AGXTST14ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14769328 0.76 MAPT (0.49) ASIC3AGXTST14KDM4ECA12
SCHEMBL9016348 0.76 ASIC3 (0.57) ASIC3ST14LOXL2CA12CA1
SCHEMBL15345345 0.75 CSNK2A1 (0.54) AGXTKDM4EHSD17B10L3MBTL1CA12
SCHEMBL15345584 0.75 AGXT (0.47) AGXTST14GAASMN1; SMN2L3MBTL1

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 ASIC3 970/4885AGXT 2154/4885MELK 3040/4885

“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.