SCHEMBL4670540

SCHEMBL4670540

Nc1ccc2c(Br)c(O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.58
ESR2 Q92731 3/20 0.58
PLAU P00749 1/20 0.55
POLB P06746 1/20 0.53
HSD17B1 P14061 2/20 0.53
HSD17B2 P37059 2/20 0.53
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
NSD2 O96028 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
CASP6 P55212 1/20 0.42
PTPN11 Q06124 1/20 0.42
NT5E P21589 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL50832 0.79 ESR1 (0.61) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL30570998 0.79 ESR1 (0.72) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL29594113 0.79 ESR1 (0.72) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL9623620 0.79 ESR1 (0.72) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL28574517 0.79 PLAU (0.59) PLAUHSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL10028229 0.79 PLAU (0.59) ESR1ESR2PLAUHSD17B1HSD17B2
SCHEMBL9572324 0.79 PLAU (0.59) PLAUHSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL28853957 0.78 POLB (0.60) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL25197227 0.76 ESR1 (0.58) ESR1ESR2POLBHSD17B1HSD17B2
SCHEMBL31596811 0.76 ESR1 (0.58) ESR1ESR2POLBHSD17B1HSD17B2

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 ESR1 2824/4885ESR2 2174/4885PLAU 36/4885

“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.