SCHEMBL4670747

SCHEMBL4670747

COC(=O)C(Cc1ccccc1)Oc1ccc2cc(CN(C)C(=O)c3ccc(C4CCCCC4)cc3)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.41
PTPN1 P18031 2/20 0.40
HTT P42858 1/20 0.40
LIMK2 P53671 1/20 0.38
MCHR1 Q99705 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MAOA P21397 2/20 0.37
ACACB O00763 1/20 0.37
STAT3 P40763 2/20 0.36
F10 P00742 1/20 0.36
ERN1 O75460 1/20 0.36
PDK1 Q15118 1/20 0.36

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
SCHEMBL4672597 0.93 PTPN1 (0.47) NCEH1PTPN1HTTLIMK2PPARG
SCHEMBL4672741 0.86 PPARG (0.48) NCEH1PTPN1HTTPPARGPPARD
SCHEMBL4675886 0.85 PTPN1 (0.46) NCEH1PTPN1PPARGPPARDPPARA
SCHEMBL4670167 0.84 NCEH1 (0.45) NCEH1HTTLIMK2MCHR1PPARG
SCHEMBL4672593 0.78 PTPN1 (0.45) NCEH1PTPN1PPARGPPARDPPARA
SCHEMBL4672733 0.78 ERN1 (0.43) NCEH1LIMK2MAOASTAT3ERN1
SCHEMBL4672563 0.77 PTPN1 (0.54) NCEH1PTPN1HTTPPARGPPARA
SCHEMBL4672318 0.76 PTPN1 (0.51) NCEH1PTPN1PPARGPPARDPPARA
SCHEMBL4670153 0.76 PTPN1 (0.55) NCEH1PTPN1HTT
SCHEMBL4670247 0.75 PTPN1 (0.49) NCEH1PTPN1HTTPPARGPPARA

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 NCEH1 86/4885PTPN1 885/4885HTT 313/4885

“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.