SCHEMBL4670607

SCHEMBL4670607

NCc1ccc2c(Br)c(O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
POLB P06746 1/20 0.48
ROCK1 Q13464 1/20 0.45
CYP19A1 P11511 1/20 0.43
PTPN1 P18031 1/20 0.43
ABAT P80404 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL27608928 0.82 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670210 0.80 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL9506115 0.78 GAA (0.56) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670212 0.78 ESR1 (0.49) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670540 0.76 ESR1 (0.58) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL4670454 0.76 HDAC1 (0.44) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL30570998 0.75 ESR1 (0.72) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL9623620 0.75 ESR1 (0.72) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL50832 0.75 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL29594113 0.75 ESR1 (0.72) ESR1ESR2HSD17B1HSD17B2POLB

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 2174/4885HSD17B1 703/4885

“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.