SCHEMBL4670167

SCHEMBL4670167

COc1ccc2cc(CN(C)C(=O)c3ccc(C4CCCCC4)cc3)ccc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.45
MCHR1 Q99705 4/20 0.45
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 1/20 0.39
LIMK2 P53671 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL4672733 0.87 ERN1 (0.43) NCEH1LIMK2HSD17B2
SCHEMBL4672597 0.84 PTPN1 (0.47) NCEH1HTTPPARGPPARDPPARA
SCHEMBL4670747 0.84 NCEH1 (0.41) NCEH1MCHR1HTTPPARGPPARD
SCHEMBL4675886 0.75 PTPN1 (0.46) NCEH1PPARGPPARDPPARA
SCHEMBL4672741 0.68 PPARG (0.48) NCEH1HTTPPARGPPARDPPARA
SCHEMBL9007497 0.68 CYP19A1 (0.49) NCEH1POLBALDH1A1SMN1; SMN2
SCHEMBL11745958 0.67 GAA (0.61) NCEH1POLBALDH1A1SMN1; SMN2
SCHEMBL9007503 0.67 NCEH1 (0.48) NCEH1HTTPOLBSMN1; SMN2
Methane SCHEMBL10453459 0.66 GAA (0.60) NCEH1POLBALDH1A1SMN1; SMN2
SCHEMBL4673038 0.66 NCEH1 (0.49) NCEH1POLBSMN1; SMN2

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 3 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
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

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 86/4885MCHR1 1603/4885HTT 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.