SCHEMBL4670405

SCHEMBL4670405

C/N=C/c1ccc2c(Br)c(OC)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP1A2 P05177 2/20 0.41
MAPT P10636 1/20 0.41
NCEH1 Q6PIU2 5/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.37
APP P05067 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35

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
SCHEMBL4670409 1.00 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2CYP1A2MAPT
SCHEMBL1369428 0.81 ALDH1A1 (0.56) CYP19A1CYP11B1CYP11B2MAPTNCEH1
SCHEMBL3019686 0.75 NCEH1 (0.58) CYP19A1CYP11B1CYP11B2MAPTNCEH1
SCHEMBL9601338 0.75 ALDH1A1 (0.59) CYP19A1CYP1A2MAPTNQO2ALDH1A1
SCHEMBL9601347 0.75 ALDH1A1 (0.59) CYP19A1CYP1A2MAPTNQO2ALDH1A1
SCHEMBL31553099 0.74 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2MAPTNCEH1
SCHEMBL23640316 0.74 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2CYP1A2MAPT
SCHEMBL14279013 0.74 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2CYP1A2MAPT
SCHEMBL8557380 0.72 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2MAPTNCEH1
SCHEMBL23060791 0.72 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2NCEH1

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 CYP19A1 1013/4885CYP11B1 2391/4885CYP11B2 3217/4885

“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.